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

C18H21ClN6O — CID 118380787

IUPAC1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCCNc1n[nH]c2cc(NC(=O)N[C@H](CC)c3ccc(Cl)cc3)ncc12
InChIInChI=1S/C18H21ClN6O/c1-3-14(11-5-7-12(19)8-6-11)22-18(26)23-16-9-15-13(10-21-16)17(20-4-2)25-24-15/h5-10,14H,3-4H2,1-2H3,(H2,20,24,25)(H2,21,22,23,26)/t14-/m1/s1
InChIKeyRYVASRBWRUGFCB-CQSZACIVSA-N
MW372.86 g/mol
LogP4.32
Rot. Bonds6

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

1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 118380787) has the molecular formula C18H21ClN6O and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID118380787
Molecular FormulaC18H21ClN6O
Molecular Weight372.86 g/mol
Exact Mass372.15
IUPAC Name1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCCNc1n[nH]c2cc(NC(=O)N[C@H](CC)c3ccc(Cl)cc3)ncc12
InChIInChI=1S/C18H21ClN6O/c1-3-14(11-5-7-12(19)8-6-11)22-18(26)23-16-9-15-13(10-21-16)17(20-4-2)25-24-15/h5-10,14H,3-4H2,1-2H3,(H2,20,24,25)(H2,21,22,23,26)/t14-/m1/s1
InChIKeyRYVASRBWRUGFCB-CQSZACIVSA-N
XLogP4.32
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
N-(5-Phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide
CID 6539526
1-[5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl]-3,5-dimethylpiperazine
CID 9842184
1-[3-(4-chlorophenyl)-4-(pyridin-4-yl)-1H-pyrazol-5-yl]-3-methylpiperazine
CID 22037576
5-bromo-2-N-[(4-chlorophenyl)methyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24949091
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 11603296
2-(4-chlorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53319647
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-phenylethyl)urea
CID 71555243
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555244
1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 71555392
1-[3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555465
(R)-1-(3-(4-fluorophenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl)-3-(1-phenylethyl)urea
CID 71555466

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 118380787) is 1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is CCNc1n[nH]c2cc(NC(=O)N[C@H](CC)c3ccc(Cl)cc3)ncc12.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is RYVASRBWRUGFCB-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21ClN6O/c1-3-14(11-5-7-12(19)8-6-11)22-18(26)23-16-9-15-13(10-21-16)17(20-4-2)25-24-15/h5-10,14H,3-4H2,1-2H3,(H2,20,24,25)(H2,21,22,23,26)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1R)-1-(4-chlorophenyl)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 372.86 g/mol, XLogP of 4.32, 6 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)propyl]-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 118380787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).