7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide

C19H21N9O — CID 162653946

IUPAC7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1ncn2ccc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12
InChIInChI=1S/C19H21N9O/c1-20-18(29)17-15-8-14(5-7-27(15)12-22-17)24-19-21-6-4-16(25-19)28-11-13(9-23-28)10-26(2)3/h4-9,11-12H,10H2,1-3H3,(H,20,29)(H,21,24,25)
InChIKeyUAYLWDBQVWXUCN-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.47
Rot. Bonds6

About 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide

7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 162653946) has the molecular formula C19H21N9O and a molecular weight of 391.44 g/mol. Its IUPAC name is 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID162653946
Molecular FormulaC19H21N9O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1ncn2ccc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12
InChIInChI=1S/C19H21N9O/c1-20-18(29)17-15-8-14(5-7-27(15)12-22-17)24-19-21-6-4-16(25-19)28-11-13(9-23-28)10-26(2)3/h4-9,11-12H,10H2,1-3H3,(H,20,29)(H,21,24,25)
InChIKeyUAYLWDBQVWXUCN-UHFFFAOYSA-N
XLogP1.47
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide (CID 162653946) is 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide is CNC(=O)c1ncn2ccc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12.
What is the InChIKey of 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is UAYLWDBQVWXUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O/c1-20-18(29)17-15-8-14(5-7-27(15)12-22-17)24-19-21-6-4-16(25-19)28-11-13(9-23-28)10-26(2)3/h4-9,11-12H,10H2,1-3H3,(H,20,29)(H,21,24,25).
What are the key properties of 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide?
7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N-methylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 162653946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).