1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

C20H24N6O2 — CID 118365158

IUPAC1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCNCC3)c2cn1)c1ccccc1
InChIInChI=1S/C20H24N6O2/c1-13(14-5-3-2-4-6-14)23-20(27)24-18-11-17-16(12-22-18)19(26-25-17)28-15-7-9-21-10-8-15/h2-6,11-13,15,21H,7-10H2,1H3,(H,25,26)(H2,22,23,24,27)/t13-/m1/s1
InChIKeyWFRWBTLVNDDANL-CYBMUJFWSA-N
MW380.45 g/mol
LogP2.97
Rot. Bonds5

About 1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 118365158) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID118365158
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCNCC3)c2cn1)c1ccccc1
InChIInChI=1S/C20H24N6O2/c1-13(14-5-3-2-4-6-14)23-20(27)24-18-11-17-16(12-22-18)19(26-25-17)28-15-7-9-21-10-8-15/h2-6,11-13,15,21H,7-10H2,1H3,(H,25,26)(H2,22,23,24,27)/t13-/m1/s1
InChIKeyWFRWBTLVNDDANL-CYBMUJFWSA-N
XLogP2.97
TPSA103.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-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-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 118365158) is 1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCNCC3)c2cn1)c1ccccc1.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is WFRWBTLVNDDANL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13(14-5-3-2-4-6-14)23-20(27)24-18-11-17-16(12-22-18)19(26-25-17)28-15-7-9-21-10-8-15/h2-6,11-13,15,21H,7-10H2,1H3,(H,25,26)(H2,22,23,24,27)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 380.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-(3-piperidin-4-yloxy-1H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 118365158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).