3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea

C26H20ClN9O — CID 140930194

IUPAC3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cncc(-c2cc3c(-c4nc5c(-c6cccc(Cl)c6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C26H20ClN9O/c1-36(2)26(37)31-17-7-15(9-28-10-17)20-8-18-21(13-30-20)34-35-24(18)25-32-22-12-29-11-19(23(22)33-25)14-4-3-5-16(27)6-14/h3-13H,1-2H3,(H,31,37)(H,32,33)(H,34,35)
InChIKeyCFIRHGMDXSPIPT-UHFFFAOYSA-N
MW509.96 g/mol
LogP5.37
Rot. Bonds4

About 3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea

3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea (PubChem CID 140930194) has the molecular formula C26H20ClN9O and a molecular weight of 509.96 g/mol. Its IUPAC name is 3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea
PubChem CID140930194
Molecular FormulaC26H20ClN9O
Molecular Weight509.96 g/mol
Exact Mass509.15
IUPAC Name3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1cncc(-c2cc3c(-c4nc5c(-c6cccc(Cl)c6)cncc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C26H20ClN9O/c1-36(2)26(37)31-17-7-15(9-28-10-17)20-8-18-21(13-30-20)34-35-24(18)25-32-22-12-29-11-19(23(22)33-25)14-4-3-5-16(27)6-14/h3-13H,1-2H3,(H,31,37)(H,32,33)(H,34,35)
InChIKeyCFIRHGMDXSPIPT-UHFFFAOYSA-N
XLogP5.37
TPSA128.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.96
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea?
The IUPAC name of 3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea (CID 140930194) is 3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea?
The canonical SMILES for 3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea is CN(C)C(=O)Nc1cncc(-c2cc3c(-c4nc5c(-c6cccc(Cl)c6)cncc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea?
The InChIKey is CFIRHGMDXSPIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN9O/c1-36(2)26(37)31-17-7-15(9-28-10-17)20-8-18-21(13-30-20)34-35-24(18)25-32-22-12-29-11-19(23(22)33-25)14-4-3-5-16(27)6-14/h3-13H,1-2H3,(H,31,37)(H,32,33)(H,34,35).
What are the key properties of 3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea?
3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea has a molecular weight of 509.96 g/mol, XLogP of 5.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[7-(3-chlorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea is sourced from PubChem (CID 140930194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).