1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea

C18H21N5O — CID 71555392

IUPAC1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCCCc1[nH]nc2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12
InChIInChI=1S/C18H21N5O/c1-3-7-15-14-11-19-17(10-16(14)23-22-15)21-18(24)20-12(2)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,22,23)(H2,19,20,21,24)/t12-/m1/s1
InChIKeyAEUZIBWJAILCPV-GFCCVEGCSA-N
MW323.40 g/mol
LogP3.79
Rot. Bonds5

About 1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea

1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea (PubChem CID 71555392) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea
PubChem CID71555392
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea
SMILESCCCc1[nH]nc2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12
InChIInChI=1S/C18H21N5O/c1-3-7-15-14-11-19-17(10-16(14)23-22-15)21-18(24)20-12(2)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,22,23)(H2,19,20,21,24)/t12-/m1/s1
InChIKeyAEUZIBWJAILCPV-GFCCVEGCSA-N
XLogP3.79
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The IUPAC name of 1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea (CID 71555392) is 1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea.
What is the SMILES notation for 1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The canonical SMILES for 1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea is CCCc1[nH]nc2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12.
What is the InChIKey of 1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea?
The InChIKey is AEUZIBWJAILCPV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-7-15-14-11-19-17(10-16(14)23-22-15)21-18(24)20-12(2)13-8-5-4-6-9-13/h4-6,8-12H,3,7H2,1-2H3,(H,22,23)(H2,19,20,21,24)/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea?
1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea has a molecular weight of 323.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea is sourced from PubChem (CID 71555392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).