1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C22H21ClN6O — CID 71554798

IUPAC1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)NC(C)(C)c4ccc(Cl)cc4)ncc23)ccn1
InChIInChI=1S/C22H21ClN6O/c1-13-10-14(8-9-24-13)20-17-12-25-19(11-18(17)28-29-20)26-21(30)27-22(2,3)15-4-6-16(23)7-5-15/h4-12H,1-3H3,(H,28,29)(H2,25,26,27,30)
InChIKeyMRNDBZYSTXZBOA-UHFFFAOYSA-N
MW420.90 g/mol
LogP5.04
Rot. Bonds4

About 1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71554798) has the molecular formula C22H21ClN6O and a molecular weight of 420.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID71554798
Molecular FormulaC22H21ClN6O
Molecular Weight420.90 g/mol
Exact Mass420.15
IUPAC Name1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESCc1cc(-c2n[nH]c3cc(NC(=O)NC(C)(C)c4ccc(Cl)cc4)ncc23)ccn1
InChIInChI=1S/C22H21ClN6O/c1-13-10-14(8-9-24-13)20-17-12-25-19(11-18(17)28-29-20)26-21(30)27-22(2,3)15-4-6-16(23)7-5-15/h4-12H,1-3H3,(H,28,29)(H2,25,26,27,30)
InChIKeyMRNDBZYSTXZBOA-UHFFFAOYSA-N
XLogP5.04
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.90
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-(4-chlorophenyl)-4-(4-pyridinyl)-1H-pyrazol-3-yl)-4-methylpiperazine
CID 15541506
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
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
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 11603296
[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]urea
CID 71253517
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-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71554798) is 1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is Cc1cc(-c2n[nH]c3cc(NC(=O)NC(C)(C)c4ccc(Cl)cc4)ncc23)ccn1.
What is the InChIKey of 1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is MRNDBZYSTXZBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O/c1-13-10-14(8-9-24-13)20-17-12-25-19(11-18(17)28-29-20)26-21(30)27-22(2,3)15-4-6-16(23)7-5-15/h4-12H,1-3H3,(H,28,29)(H2,25,26,27,30).
What are the key properties of 1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 420.90 g/mol, XLogP of 5.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)propan-2-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71554798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).