[(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

C20H24ClN7O — CID 136994910

IUPAC[(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(Cl)c(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)n1
InChIInChI=1S/C20H24ClN7O/c1-26-12-14(21)17(25-26)19-22-15-6-7-16(23-18(15)24-19)28-10-4-5-13(11-28)20(29)27-8-2-3-9-27/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,23,24)/t13-/m1/s1
InChIKeyJSQSVUPVTFQQLZ-CYBMUJFWSA-N
MW413.91 g/mol
LogP2.85
Rot. Bonds3

About [(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 136994910) has the molecular formula C20H24ClN7O and a molecular weight of 413.91 g/mol. Its IUPAC name is [(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID136994910
Molecular FormulaC20H24ClN7O
Molecular Weight413.91 g/mol
Exact Mass413.17
IUPAC Name[(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(Cl)c(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)n1
InChIInChI=1S/C20H24ClN7O/c1-26-12-14(21)17(25-26)19-22-15-6-7-16(23-18(15)24-19)28-10-4-5-13(11-28)20(29)27-8-2-3-9-27/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,23,24)/t13-/m1/s1
InChIKeyJSQSVUPVTFQQLZ-CYBMUJFWSA-N
XLogP2.85
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 136994910) is [(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is Cn1cc(Cl)c(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)n1.
What is the InChIKey of [(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JSQSVUPVTFQQLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24ClN7O/c1-26-12-14(21)17(25-26)19-22-15-6-7-16(23-18(15)24-19)28-10-4-5-13(11-28)20(29)27-8-2-3-9-27/h6-7,12-13H,2-5,8-11H2,1H3,(H,22,23,24)/t13-/m1/s1.
What are the key properties of [(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 413.91 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-(4-chloro-1-methylpyrazol-3-yl)-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 136994910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).