2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline

C215H252N32O7 — CID 160576804

IUPAC2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
SMILESCC(C)c1c[nH]c2cncnc12.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCNC2=O.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncncc2c1.CC(C)n1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C12H15NO.C12H13NO.2C12H13N.2C11H12N2.4C11H13NO.4C11H13N.4C10H12N2.C9H11N3.C8H11N5O/c2*1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;2*1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-6(2)7-3-11-8-4-10-5-12-9(7)8;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;2*3-8H,1-2H3;4*3-5,7H,6H2,1-2H3,(H,12,13);4*3-8,12H,1-2H3;4*3-7H,1-2H3,(H,11,12);3-6,11H,1-2H3;3-4H,1-2H3,(H3,9,11,12,14)
InChIKeyRBGHZNMDDKHAPG-UHFFFAOYSA-N
MW3396.60 g/mol
LogP52.46
Rot. Bonds20

About 2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline

2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline (PubChem CID 160576804) has the molecular formula C215H252N32O7 and a molecular weight of 3396.60 g/mol. Its IUPAC name is 2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline.

Molecular Properties

Compound Name2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
PubChem CID160576804
Molecular FormulaC215H252N32O7
Molecular Weight3396.60 g/mol
Exact Mass3394.03
IUPAC Name2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
SMILESCC(C)c1c[nH]c2cncnc12.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCNC2=O.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncncc2c1.CC(C)n1cnc2c(=O)[nH]c(N)nc21
InChIInChI=1S/C12H15NO.C12H13NO.2C12H13N.2C11H12N2.4C11H13NO.4C11H13N.4C10H12N2.C9H11N3.C8H11N5O/c2*1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;2*1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-6(2)7-3-11-8-4-10-5-12-9(7)8;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;2*3-8H,1-2H3;4*3-5,7H,6H2,1-2H3,(H,12,13);4*3-8,12H,1-2H3;4*3-7H,1-2H3,(H,11,12);3-6,11H,1-2H3;3-4H,1-2H3,(H3,9,11,12,14)
InChIKeyRBGHZNMDDKHAPG-UHFFFAOYSA-N
XLogP52.46
TPSA564.74 Ų
H-Bond Donors17
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms254
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003396.60
LogP ≤ 552.46
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1023

Analyze 2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
The IUPAC name of 2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline (CID 160576804) is 2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline.
What is the SMILES notation for 2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
The canonical SMILES for 2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline is CC(C)c1c[nH]c2cncnc12.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(=O)[nH]ccc2c1.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CC(=O)N2.CC(C)c1ccc2c(c1)CCNC2=O.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2c(c1)NC(=O)C2.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2nccnc2c1.CC(C)c1ccc2ncncc2c1.CC(C)n1cnc2c(=O)[nH]c(N)nc21.
What is the InChIKey of 2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
The InChIKey is RBGHZNMDDKHAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C12H13NO.2C12H13N.2C11H12N2.4C11H13NO.4C11H13N.4C10H12N2.C9H11N3.C8H11N5O/c2*1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-8(2)9-3-4-11-10(5-9)6-12-7-13-11;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;2*1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;2*1-7(2)8-3-4-9-6-11(13)12-10(9)5-8;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-6(2)7-3-11-8-4-10-5-12-9(7)8;1-4(2)13-3-10-5-6(13)11-8(9)12-7(5)14/h3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-8H,1-2H3,(H,13,14);2*3-9H,1-2H3;2*3-8H,1-2H3;4*3-5,7H,6H2,1-2H3,(H,12,13);4*3-8,12H,1-2H3;4*3-7H,1-2H3,(H,11,12);3-6,11H,1-2H3;3-4H,1-2H3,(H3,9,11,12,14).
What are the key properties of 2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline?
2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline has a molecular weight of 3396.60 g/mol, XLogP of 52.46, 20 rotatable bonds, 17 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-propan-2-yl-1H-purin-6-one;bis(5-propan-2-yl-1,3-dihydroindol-2-one);bis(6-propan-2-yl-1,3-dihydroindol-2-one);6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;bis(5-propan-2-yl-1H-indazole);bis(6-propan-2-yl-1H-indazole);bis(5-propan-2-yl-1H-indole);bis(6-propan-2-yl-1H-indole);6-propan-2-ylisoquinoline;6-propan-2-yl-2H-isoquinolin-1-one;7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline is sourced from PubChem (CID 160576804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).