N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide

C25H29N7O2 — CID 161008092

IUPACN-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide
SMILESCC1CC(N2C(=O)Cc3ccccc32)CCN1c1ncnc2c1nc(C(=O)NCC1CC1)n2C
InChIInChI=1S/C25H29N7O2/c1-15-11-18(32-19-6-4-3-5-17(19)12-20(32)33)9-10-31(15)23-21-22(27-14-28-23)30(2)24(29-21)25(34)26-13-16-7-8-16/h3-6,14-16,18H,7-13H2,1-2H3,(H,26,34)
InChIKeyTWTQXYPWLVETGQ-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.45
Rot. Bonds5

About N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide

N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide (PubChem CID 161008092) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide
PubChem CID161008092
Molecular FormulaC25H29N7O2
Molecular Weight459.55 g/mol
Exact Mass459.24
IUPAC NameN-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide
SMILESCC1CC(N2C(=O)Cc3ccccc32)CCN1c1ncnc2c1nc(C(=O)NCC1CC1)n2C
InChIInChI=1S/C25H29N7O2/c1-15-11-18(32-19-6-4-3-5-17(19)12-20(32)33)9-10-31(15)23-21-22(27-14-28-23)30(2)24(29-21)25(34)26-13-16-7-8-16/h3-6,14-16,18H,7-13H2,1-2H3,(H,26,34)
InChIKeyTWTQXYPWLVETGQ-UHFFFAOYSA-N
XLogP2.45
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide with MolForge

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Related Compounds

N-(cyclopropylmethyl)-9-methyl-6-(4-oxospiro[3,5-dihydro-1-benzoxepine-2,4'-piperidine]-1'-yl)purine-8-carboxamide
CID 157371758
N-(cyclopropylmethyl)-9-methyl-6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]purine-8-carboxamide
CID 56948204
N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1-benzofuran-3,4'-piperidine]-1'-yl)purine-8-carboxamide
CID 66799859
N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)purine-8-carboxamide
CID 66806549
N-(cyclopropylmethyl)-9-methyl-6-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)purine-8-carboxamide
CID 66806582
N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide
CID 66801936
1-(1-ethylpiperidin-4-yl)-3H-indol-2-one
CID 71199047
N-(4-hydroxycyclohexyl)-9-methyl-6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]purine-8-carboxamide
CID 66803964
9-methyl-6-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-(1-phenylethyl)purine-8-carboxamide
CID 66802156
1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-3H-indol-2-one
CID 22558141
6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine
CID 123318235
N-(cyclohexylmethyl)-2-(2-methoxyethyl)-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147751

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide (CID 161008092) is N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide is CC1CC(N2C(=O)Cc3ccccc32)CCN1c1ncnc2c1nc(C(=O)NCC1CC1)n2C.
What is the InChIKey of N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide?
The InChIKey is TWTQXYPWLVETGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-15-11-18(32-19-6-4-3-5-17(19)12-20(32)33)9-10-31(15)23-21-22(27-14-28-23)30(2)24(29-21)25(34)26-13-16-7-8-16/h3-6,14-16,18H,7-13H2,1-2H3,(H,26,34).
What are the key properties of N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide?
N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-9-methyl-6-[2-methyl-4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]purine-8-carboxamide is sourced from PubChem (CID 161008092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).