7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide

C19H22N10O — CID 162665513

IUPAC7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(NCCN)cn4)n3)cc12
InChIInChI=1S/C19H22N10O/c1-12-25-17(18(30)21-2)15-9-13(4-8-28(12)15)26-19-23-6-3-16(27-19)29-11-14(10-24-29)22-7-5-20/h3-4,6,8-11,22H,5,7,20H2,1-2H3,(H,21,30)(H,23,26,27)
InChIKeyAKQRHHQZNGWIGS-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.09
Rot. Bonds7

About 7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide

7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 162665513) has the molecular formula C19H22N10O and a molecular weight of 406.45 g/mol. Its IUPAC name is 7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID162665513
Molecular FormulaC19H22N10O
Molecular Weight406.45 g/mol
Exact Mass406.20
IUPAC Name7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(NCCN)cn4)n3)cc12
InChIInChI=1S/C19H22N10O/c1-12-25-17(18(30)21-2)15-9-13(4-8-28(12)15)26-19-23-6-3-16(27-19)29-11-14(10-24-29)22-7-5-20/h3-4,6,8-11,22H,5,7,20H2,1-2H3,(H,21,30)(H,23,26,27)
InChIKeyAKQRHHQZNGWIGS-UHFFFAOYSA-N
XLogP1.09
TPSA140.08 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide (CID 162665513) is 7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide is CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(NCCN)cn4)n3)cc12.
What is the InChIKey of 7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is AKQRHHQZNGWIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N10O/c1-12-25-17(18(30)21-2)15-9-13(4-8-28(12)15)26-19-23-6-3-16(27-19)29-11-14(10-24-29)22-7-5-20/h3-4,6,8-11,22H,5,7,20H2,1-2H3,(H,21,30)(H,23,26,27).
What are the key properties of 7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?
7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-(2-aminoethylamino)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 162665513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).