1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea

C19H13Cl2N5O — CID 164626056

IUPAC1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea
SMILESO=C(Nc1cc(Cl)nc(Cl)c1)Nc1cc2ccc(-c3ccccc3)cn2n1
InChIInChI=1S/C19H13Cl2N5O/c20-16-8-14(9-17(21)23-16)22-19(27)24-18-10-15-7-6-13(11-26(15)25-18)12-4-2-1-3-5-12/h1-11H,(H2,22,23,24,25,27)
InChIKeyNOJKAQPFNOTJLL-UHFFFAOYSA-N
MW398.25 g/mol
LogP5.35
Rot. Bonds3

About 1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea

1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 164626056) has the molecular formula C19H13Cl2N5O and a molecular weight of 398.25 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea
PubChem CID164626056
Molecular FormulaC19H13Cl2N5O
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea
SMILESO=C(Nc1cc(Cl)nc(Cl)c1)Nc1cc2ccc(-c3ccccc3)cn2n1
InChIInChI=1S/C19H13Cl2N5O/c20-16-8-14(9-17(21)23-16)22-19(27)24-18-10-15-7-6-13(11-26(15)25-18)12-4-2-1-3-5-12/h1-11H,(H2,22,23,24,25,27)
InChIKeyNOJKAQPFNOTJLL-UHFFFAOYSA-N
XLogP5.35
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.25
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Pyrazolo[1,5-b]pyridazine deriv. 36
CID 6539378
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
N-(4-chlorophenyl)-1-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-4-amine
CID 6419381
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine
CID 6419382
N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 6419385
4-[2-(4-chlorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539424
3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo(1,5-a)pyrimidin-5-amine
CID 6419789
1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 11603296
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-phenylethyl)urea
CID 71555243
1-[3-(6-methylpyridazin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 92044553
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea (CID 164626056) is 1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea is O=C(Nc1cc(Cl)nc(Cl)c1)Nc1cc2ccc(-c3ccccc3)cn2n1.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is NOJKAQPFNOTJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O/c20-16-8-14(9-17(21)23-16)22-19(27)24-18-10-15-7-6-13(11-26(15)25-18)12-4-2-1-3-5-12/h1-11H,(H2,22,23,24,25,27).
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea?
1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 398.25 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)-3-(6-phenylpyrazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 164626056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).