3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane

C23H29N7O2 — CID 145086053

IUPAC3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane
SMILESCC.CCCc1nc(C(=O)NCc2cccc3c2C(=O)NC3)c(N)nc1-n1cc(C)cn1
InChIInChI=1S/C21H23N7O2.C2H6/c1-3-5-15-19(28-11-12(2)8-25-28)27-18(22)17(26-15)21(30)24-10-14-7-4-6-13-9-23-20(29)16(13)14;1-2/h4,6-8,11H,3,5,9-10H2,1-2H3,(H2,22,27)(H,23,29)(H,24,30);1-2H3
InChIKeyUNUJQWPZXAWIHE-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.71
Rot. Bonds6

About 3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane

3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane (PubChem CID 145086053) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane.

Molecular Properties

Compound Name3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane
PubChem CID145086053
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane
SMILESCC.CCCc1nc(C(=O)NCc2cccc3c2C(=O)NC3)c(N)nc1-n1cc(C)cn1
InChIInChI=1S/C21H23N7O2.C2H6/c1-3-5-15-19(28-11-12(2)8-25-28)27-18(22)17(26-15)21(30)24-10-14-7-4-6-13-9-23-20(29)16(13)14;1-2/h4,6-8,11H,3,5,9-10H2,1-2H3,(H2,22,27)(H,23,29)(H,24,30);1-2H3
InChIKeyUNUJQWPZXAWIHE-UHFFFAOYSA-N
XLogP2.71
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane?
The IUPAC name of 3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane (CID 145086053) is 3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane.
What is the SMILES notation for 3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane?
The canonical SMILES for 3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane is CC.CCCc1nc(C(=O)NCc2cccc3c2C(=O)NC3)c(N)nc1-n1cc(C)cn1.
What is the InChIKey of 3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane?
The InChIKey is UNUJQWPZXAWIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2.C2H6/c1-3-5-15-19(28-11-12(2)8-25-28)27-18(22)17(26-15)21(30)24-10-14-7-4-6-13-9-23-20(29)16(13)14;1-2/h4,6-8,11H,3,5,9-10H2,1-2H3,(H2,22,27)(H,23,29)(H,24,30);1-2H3.
What are the key properties of 3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane?
3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane has a molecular weight of 435.53 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methylpyrazol-1-yl)-N-[(3-oxo-1,2-dihydroisoindol-4-yl)methyl]-6-propylpyrazine-2-carboxamide;ethane is sourced from PubChem (CID 145086053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).