[(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C17H19ClN6O — CID 121279717

IUPAC[(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](n3ncc4ccc(Cl)nc43)C2)n[nH]1
InChIInChI=1S/C17H19ClN6O/c1-10(2)13-7-14(22-21-13)17(25)23-6-5-12(9-23)24-16-11(8-19-24)3-4-15(18)20-16/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyWIDJORNOUBRPJU-GFCCVEGCSA-N
MW358.83 g/mol
LogP3.02
Rot. Bonds3

About [(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279717) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is [(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279717
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name[(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CC[C@@H](n3ncc4ccc(Cl)nc43)C2)n[nH]1
InChIInChI=1S/C17H19ClN6O/c1-10(2)13-7-14(22-21-13)17(25)23-6-5-12(9-23)24-16-11(8-19-24)3-4-15(18)20-16/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKeyWIDJORNOUBRPJU-GFCCVEGCSA-N
XLogP3.02
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279717) is [(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CC[C@@H](n3ncc4ccc(Cl)nc43)C2)n[nH]1.
What is the InChIKey of [(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is WIDJORNOUBRPJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-10(2)13-7-14(22-21-13)17(25)23-6-5-12(9-23)24-16-11(8-19-24)3-4-15(18)20-16/h3-4,7-8,10,12H,5-6,9H2,1-2H3,(H,21,22)/t12-/m1/s1.
What are the key properties of [(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 358.83 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(6-chloropyrazolo[5,4-b]pyridin-1-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).