1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

C23H20ClN7O — CID 71555840

IUPAC1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nn(C)cc4c3)c2cn1)c1cccc(Cl)c1
InChIInChI=1S/C23H20ClN7O/c1-13(14-4-3-5-17(24)9-14)26-23(32)27-21-10-20-18(11-25-21)22(29-28-20)15-6-7-19-16(8-15)12-31(2)30-19/h3-13H,1-2H3,(H,28,29)(H2,25,26,27,32)/t13-/m1/s1
InChIKeyPTZOIIHQYNKCEY-CYBMUJFWSA-N
MW445.91 g/mol
LogP5.05
Rot. Bonds4

About 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea

1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71555840) has the molecular formula C23H20ClN7O and a molecular weight of 445.91 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID71555840
Molecular FormulaC23H20ClN7O
Molecular Weight445.91 g/mol
Exact Mass445.14
IUPAC Name1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
SMILESC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nn(C)cc4c3)c2cn1)c1cccc(Cl)c1
InChIInChI=1S/C23H20ClN7O/c1-13(14-4-3-5-17(24)9-14)26-23(32)27-21-10-20-18(11-25-21)22(29-28-20)15-6-7-19-16(8-15)12-31(2)30-19/h3-13H,1-2H3,(H,28,29)(H2,25,26,27,32)/t13-/m1/s1
InChIKeyPTZOIIHQYNKCEY-CYBMUJFWSA-N
XLogP5.05
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71555840) is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.
What is the SMILES notation for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nn(C)cc4c3)c2cn1)c1cccc(Cl)c1.
What is the InChIKey of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is PTZOIIHQYNKCEY-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H20ClN7O/c1-13(14-4-3-5-17(24)9-14)26-23(32)27-21-10-20-18(11-25-21)22(29-28-20)15-6-7-19-16(8-15)12-31(2)30-19/h3-13H,1-2H3,(H,28,29)(H2,25,26,27,32)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 445.91 g/mol, XLogP of 5.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71555840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).