1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

C20H24N6O2 — CID 118381090

IUPAC1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C20H24N6O2/c1-28-13-17(14-7-3-2-4-8-14)22-20(27)23-18-11-16-15(12-21-18)19(25-24-16)26-9-5-6-10-26/h2-4,7-8,11-12,17H,5-6,9-10,13H2,1H3,(H,24,25)(H2,21,22,23,27)/t17-/m1/s1
InChIKeyJFVLVIUDISPJDD-QGZVFWFLSA-N
MW380.45 g/mol
LogP3.07
Rot. Bonds6

About 1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118381090) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118381090
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCOC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCCC3)c2cn1)c1ccccc1
InChIInChI=1S/C20H24N6O2/c1-28-13-17(14-7-3-2-4-8-14)22-20(27)23-18-11-16-15(12-21-18)19(25-24-16)26-9-5-6-10-26/h2-4,7-8,11-12,17H,5-6,9-10,13H2,1H3,(H,24,25)(H2,21,22,23,27)/t17-/m1/s1
InChIKeyJFVLVIUDISPJDD-QGZVFWFLSA-N
XLogP3.07
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea 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 1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118381090) is 1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is COC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCCC3)c2cn1)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is JFVLVIUDISPJDD-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-28-13-17(14-7-3-2-4-8-14)22-20(27)23-18-11-16-15(12-21-18)19(25-24-16)26-9-5-6-10-26/h2-4,7-8,11-12,17H,5-6,9-10,13H2,1H3,(H,24,25)(H2,21,22,23,27)/t17-/m1/s1.
What are the key properties of 1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 380.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methoxy-1-phenylethyl]-3-(3-pyrrolidin-1-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118381090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).