(3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol

C16H17N5O — CID 137417600

IUPAC(3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol
SMILESNc1cc(N2CC[C@H](O)C2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H17N5O/c17-16-8-15(21-6-4-11(22)9-21)12-2-1-10(7-14(12)19-16)13-3-5-18-20-13/h1-3,5,7-8,11,22H,4,6,9H2,(H2,17,19)(H,18,20)/t11-/m0/s1
InChIKeySUGZKFMCIIIMOH-NSHDSACASA-N
MW295.35 g/mol
LogP1.78
Rot. Bonds2

About (3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol

(3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol (PubChem CID 137417600) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is (3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol
PubChem CID137417600
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name(3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol
SMILESNc1cc(N2CC[C@H](O)C2)c2ccc(-c3ccn[nH]3)cc2n1
InChIInChI=1S/C16H17N5O/c17-16-8-15(21-6-4-11(22)9-21)12-2-1-10(7-14(12)19-16)13-3-5-18-20-13/h1-3,5,7-8,11,22H,4,6,9H2,(H2,17,19)(H,18,20)/t11-/m0/s1
InChIKeySUGZKFMCIIIMOH-NSHDSACASA-N
XLogP1.78
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol (CID 137417600) is (3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol is Nc1cc(N2CC[C@H](O)C2)c2ccc(-c3ccn[nH]3)cc2n1.
What is the InChIKey of (3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol?
The InChIKey is SUGZKFMCIIIMOH-NSHDSACASA-N. The full InChI is InChI=1S/C16H17N5O/c17-16-8-15(21-6-4-11(22)9-21)12-2-1-10(7-14(12)19-16)13-3-5-18-20-13/h1-3,5,7-8,11,22H,4,6,9H2,(H2,17,19)(H,18,20)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol?
(3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol has a molecular weight of 295.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-amino-7-(1H-pyrazol-5-yl)quinolin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 137417600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).