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

C19H21N9O2 — CID 162647262

IUPAC7-[[4-[4-(2-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(OCCN)cn4)n3)cc12
InChIInChI=1S/C19H21N9O2/c1-12-24-17(18(29)21-2)15-9-13(4-7-27(12)15)25-19-22-6-3-16(26-19)28-11-14(10-23-28)30-8-5-20/h3-4,6-7,9-11H,5,8,20H2,1-2H3,(H,21,29)(H,22,25,26)
InChIKeyOMTLMENESAAZLR-UHFFFAOYSA-N
MW407.44 g/mol
LogP1.06
Rot. Bonds7

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

7-[[4-[4-(2-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 162647262) has the molecular formula C19H21N9O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 7-[[4-[4-(2-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name7-[[4-[4-(2-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID162647262
Molecular FormulaC19H21N9O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name7-[[4-[4-(2-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(OCCN)cn4)n3)cc12
InChIInChI=1S/C19H21N9O2/c1-12-24-17(18(29)21-2)15-9-13(4-7-27(12)15)25-19-22-6-3-16(26-19)28-11-14(10-23-28)30-8-5-20/h3-4,6-7,9-11H,5,8,20H2,1-2H3,(H,21,29)(H,22,25,26)
InChIKeyOMTLMENESAAZLR-UHFFFAOYSA-N
XLogP1.06
TPSA137.28 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-(2-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 7-[[4-[4-(2-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide (CID 162647262) is 7-[[4-[4-(2-aminoethoxy)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-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 7-[[4-[4-(2-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide is CNC(=O)c1nc(C)n2ccc(Nc3nccc(-n4cc(OCCN)cn4)n3)cc12.
What is the InChIKey of 7-[[4-[4-(2-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is OMTLMENESAAZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9O2/c1-12-24-17(18(29)21-2)15-9-13(4-7-27(12)15)25-19-22-6-3-16(26-19)28-11-14(10-23-28)30-8-5-20/h3-4,6-7,9-11H,5,8,20H2,1-2H3,(H,21,29)(H,22,25,26).
What are the key properties of 7-[[4-[4-(2-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide?
7-[[4-[4-(2-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-(2-aminoethoxy)pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 162647262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).