(2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C21H21N7O — CID 170194057

IUPAC(2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccn2nc([C@H]3c4nc[nH]c4CCN3C(=O)c3ccnn3C3CC3)cc12
InChIInChI=1S/C21H21N7O/c1-13-3-2-9-27-18(13)11-16(25-27)20-19-15(22-12-23-19)7-10-26(20)21(29)17-6-8-24-28(17)14-4-5-14/h2-3,6,8-9,11-12,14,20H,4-5,7,10H2,1H3,(H,22,23)/t20-/m0/s1
InChIKeyAFGMOCPEOKSPSS-FQEVSTJZSA-N
MW387.45 g/mol
LogP2.69
Rot. Bonds3

About (2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 170194057) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is (2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID170194057
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name(2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCc1cccn2nc([C@H]3c4nc[nH]c4CCN3C(=O)c3ccnn3C3CC3)cc12
InChIInChI=1S/C21H21N7O/c1-13-3-2-9-27-18(13)11-16(25-27)20-19-15(22-12-23-19)7-10-26(20)21(29)17-6-8-24-28(17)14-4-5-14/h2-3,6,8-9,11-12,14,20H,4-5,7,10H2,1H3,(H,22,23)/t20-/m0/s1
InChIKeyAFGMOCPEOKSPSS-FQEVSTJZSA-N
XLogP2.69
TPSA84.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 170194057) is (2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is Cc1cccn2nc([C@H]3c4nc[nH]c4CCN3C(=O)c3ccnn3C3CC3)cc12.
What is the InChIKey of (2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is AFGMOCPEOKSPSS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21N7O/c1-13-3-2-9-27-18(13)11-16(25-27)20-19-15(22-12-23-19)7-10-26(20)21(29)17-6-8-24-28(17)14-4-5-14/h2-3,6,8-9,11-12,14,20H,4-5,7,10H2,1H3,(H,22,23)/t20-/m0/s1.
What are the key properties of (2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 387.45 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrazol-3-yl)-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 170194057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).