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

C23H20FN7O — CID 71554728

IUPAC1-[(1R)-1-(4-fluorophenyl)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)c1ccc(F)cc1
InChIInChI=1S/C23H20FN7O/c1-13(14-3-6-17(24)7-4-14)26-23(32)27-21-10-20-18(11-25-21)22(29-28-20)15-5-8-19-16(9-15)12-31(2)30-19/h3-13H,1-2H3,(H,28,29)(H2,25,26,27,32)/t13-/m1/s1
InChIKeyYQBWDVMMXGDLOQ-CYBMUJFWSA-N
MW429.46 g/mol
LogP4.53
Rot. Bonds4

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

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (PubChem CID 71554728) has the molecular formula C23H20FN7O and a molecular weight of 429.46 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
PubChem CID71554728
Molecular FormulaC23H20FN7O
Molecular Weight429.46 g/mol
Exact Mass429.17
IUPAC Name1-[(1R)-1-(4-fluorophenyl)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)c1ccc(F)cc1
InChIInChI=1S/C23H20FN7O/c1-13(14-3-6-17(24)7-4-14)26-23(32)27-21-10-20-18(11-25-21)22(29-28-20)15-5-8-19-16(9-15)12-31(2)30-19/h3-13H,1-2H3,(H,28,29)(H2,25,26,27,32)/t13-/m1/s1
InChIKeyYQBWDVMMXGDLOQ-CYBMUJFWSA-N
XLogP4.53
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The IUPAC name of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea (CID 71554728) is 1-[(1R)-1-(4-fluorophenyl)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-(4-fluorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The canonical SMILES for 1-[(1R)-1-(4-fluorophenyl)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)c1ccc(F)cc1.
What is the InChIKey of 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
The InChIKey is YQBWDVMMXGDLOQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H20FN7O/c1-13(14-3-6-17(24)7-4-14)26-23(32)27-21-10-20-18(11-25-21)22(29-28-20)15-5-8-19-16(9-15)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-(4-fluorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea?
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea has a molecular weight of 429.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(2-methylindazol-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea is sourced from PubChem (CID 71554728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).