1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C17H19ClN6O — CID 118380924

IUPAC1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)cc3)ncc12
InChIInChI=1S/C17H19ClN6O/c1-3-19-16-13-9-20-15(8-14(13)23-24-16)22-17(25)21-10(2)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,25)/t10-/m1/s1
InChIKeyNWODFDQSMRWXQH-SNVBAGLBSA-N
MW358.83 g/mol
LogP3.93
Rot. Bonds5

About 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118380924) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID118380924
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)cc3)ncc12
InChIInChI=1S/C17H19ClN6O/c1-3-19-16-13-9-20-15(8-14(13)23-24-16)22-17(25)21-10(2)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,25)/t10-/m1/s1
InChIKeyNWODFDQSMRWXQH-SNVBAGLBSA-N
XLogP3.93
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118380924) is 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)cc3)ncc12.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is NWODFDQSMRWXQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-3-19-16-13-9-20-15(8-14(13)23-24-16)22-17(25)21-10(2)11-4-6-12(18)7-5-11/h4-10H,3H2,1-2H3,(H2,19,23,24)(H2,20,21,22,25)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 358.83 g/mol, XLogP of 3.93, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118380924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).