2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide

C31H32F2N4O3 — CID 169264733

IUPAC2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@](O)(c2cc(C(C)(C)O)c(F)c(-c3ccc(F)cc3)n2)C2CC2)cc2cn(C3CC3)nc12
InChIInChI=1S/C31H32F2N4O3/c1-17-12-19(13-20-15-37(23-10-11-23)36-27(17)20)29(38)34-16-31(40,21-6-7-21)25-14-24(30(2,3)39)26(33)28(35-25)18-4-8-22(32)9-5-18/h4-5,8-9,12-15,21,23,39-40H,6-7,10-11,16H2,1-3H3,(H,34,38)/t31-/m1/s1
InChIKeyANJCGEXWAFLMJW-WJOKGBTCSA-N
MW546.62 g/mol
LogP5.27
Rot. Bonds8

About 2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide

2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide (PubChem CID 169264733) has the molecular formula C31H32F2N4O3 and a molecular weight of 546.62 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide
PubChem CID169264733
Molecular FormulaC31H32F2N4O3
Molecular Weight546.62 g/mol
Exact Mass546.24
IUPAC Name2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@](O)(c2cc(C(C)(C)O)c(F)c(-c3ccc(F)cc3)n2)C2CC2)cc2cn(C3CC3)nc12
InChIInChI=1S/C31H32F2N4O3/c1-17-12-19(13-20-15-37(23-10-11-23)36-27(17)20)29(38)34-16-31(40,21-6-7-21)25-14-24(30(2,3)39)26(33)28(35-25)18-4-8-22(32)9-5-18/h4-5,8-9,12-15,21,23,39-40H,6-7,10-11,16H2,1-3H3,(H,34,38)/t31-/m1/s1
InChIKeyANJCGEXWAFLMJW-WJOKGBTCSA-N
XLogP5.27
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.62
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide (CID 169264733) is 2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide is Cc1cc(C(=O)NC[C@](O)(c2cc(C(C)(C)O)c(F)c(-c3ccc(F)cc3)n2)C2CC2)cc2cn(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide?
The InChIKey is ANJCGEXWAFLMJW-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H32F2N4O3/c1-17-12-19(13-20-15-37(23-10-11-23)36-27(17)20)29(38)34-16-31(40,21-6-7-21)25-14-24(30(2,3)39)26(33)28(35-25)18-4-8-22(32)9-5-18/h4-5,8-9,12-15,21,23,39-40H,6-7,10-11,16H2,1-3H3,(H,34,38)/t31-/m1/s1.
What are the key properties of 2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide?
2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide has a molecular weight of 546.62 g/mol, XLogP of 5.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2S)-2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-7-methylindazole-5-carboxamide is sourced from PubChem (CID 169264733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).