2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide

C30H30F2N4O2 — CID 169264641

IUPAC2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide
SMILESCC(C)(O)c1cc(C(CNC(=O)c2ccc3nn(C4CC4)cc3c2)C2CC2)nc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C30H30F2N4O2/c1-30(2,38)24-14-26(34-28(27(24)32)18-5-8-21(31)9-6-18)23(17-3-4-17)15-33-29(37)19-7-12-25-20(13-19)16-36(35-25)22-10-11-22/h5-9,12-14,16-17,22-23,38H,3-4,10-11,15H2,1-2H3,(H,33,37)
InChIKeyBHKVVJQYBAIQGF-UHFFFAOYSA-N
MW516.59 g/mol
LogP5.86
Rot. Bonds8

About 2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide

2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide (PubChem CID 169264641) has the molecular formula C30H30F2N4O2 and a molecular weight of 516.59 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide
PubChem CID169264641
Molecular FormulaC30H30F2N4O2
Molecular Weight516.59 g/mol
Exact Mass516.23
IUPAC Name2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide
SMILESCC(C)(O)c1cc(C(CNC(=O)c2ccc3nn(C4CC4)cc3c2)C2CC2)nc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C30H30F2N4O2/c1-30(2,38)24-14-26(34-28(27(24)32)18-5-8-21(31)9-6-18)23(17-3-4-17)15-33-29(37)19-7-12-25-20(13-19)16-36(35-25)22-10-11-22/h5-9,12-14,16-17,22-23,38H,3-4,10-11,15H2,1-2H3,(H,33,37)
InChIKeyBHKVVJQYBAIQGF-UHFFFAOYSA-N
XLogP5.86
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.59
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide (CID 169264641) is 2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide is CC(C)(O)c1cc(C(CNC(=O)c2ccc3nn(C4CC4)cc3c2)C2CC2)nc(-c2ccc(F)cc2)c1F.
What is the InChIKey of 2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide?
The InChIKey is BHKVVJQYBAIQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N4O2/c1-30(2,38)24-14-26(34-28(27(24)32)18-5-8-21(31)9-6-18)23(17-3-4-17)15-33-29(37)19-7-12-25-20(13-19)16-36(35-25)22-10-11-22/h5-9,12-14,16-17,22-23,38H,3-4,10-11,15H2,1-2H3,(H,33,37).
What are the key properties of 2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide?
2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide has a molecular weight of 516.59 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-cyclopropyl-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]indazole-5-carboxamide is sourced from PubChem (CID 169264641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).