3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide

C32H31F3N4O4 — CID 168823566

IUPAC3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide
SMILESCOc1cc(C(=O)NCC(O)(c2nc(-c3ccc(F)cc3)c(F)c(C(C)(C)O)c2F)C2CC2)cc2cc(C3CC3)nnc12
InChIInChI=1S/C32H31F3N4O4/c1-31(2,41)24-25(34)28(17-6-10-21(33)11-7-17)37-29(26(24)35)32(42,20-8-9-20)15-36-30(40)19-12-18-13-22(16-4-5-16)38-39-27(18)23(14-19)43-3/h6-7,10-14,16,20,41-42H,4-5,8-9,15H2,1-3H3,(H,36,40)
InChIKeyUJQMARYFHAKFQR-UHFFFAOYSA-N
MW592.62 g/mol
LogP5.25
Rot. Bonds9

About 3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide

3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide (PubChem CID 168823566) has the molecular formula C32H31F3N4O4 and a molecular weight of 592.62 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide
PubChem CID168823566
Molecular FormulaC32H31F3N4O4
Molecular Weight592.62 g/mol
Exact Mass592.23
IUPAC Name3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide
SMILESCOc1cc(C(=O)NCC(O)(c2nc(-c3ccc(F)cc3)c(F)c(C(C)(C)O)c2F)C2CC2)cc2cc(C3CC3)nnc12
InChIInChI=1S/C32H31F3N4O4/c1-31(2,41)24-25(34)28(17-6-10-21(33)11-7-17)37-29(26(24)35)32(42,20-8-9-20)15-36-30(40)19-12-18-13-22(16-4-5-16)38-39-27(18)23(14-19)43-3/h6-7,10-14,16,20,41-42H,4-5,8-9,15H2,1-3H3,(H,36,40)
InChIKeyUJQMARYFHAKFQR-UHFFFAOYSA-N
XLogP5.25
TPSA117.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.62
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide (CID 168823566) is 3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide is COc1cc(C(=O)NCC(O)(c2nc(-c3ccc(F)cc3)c(F)c(C(C)(C)O)c2F)C2CC2)cc2cc(C3CC3)nnc12.
What is the InChIKey of 3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide?
The InChIKey is UJQMARYFHAKFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N4O4/c1-31(2,41)24-25(34)28(17-6-10-21(33)11-7-17)37-29(26(24)35)32(42,20-8-9-20)15-36-30(40)19-12-18-13-22(16-4-5-16)38-39-27(18)23(14-19)43-3/h6-7,10-14,16,20,41-42H,4-5,8-9,15H2,1-3H3,(H,36,40).
What are the key properties of 3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide?
3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide has a molecular weight of 592.62 g/mol, XLogP of 5.25, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-cyclopropyl-2-[3,5-difluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxyethyl]-8-methoxycinnoline-6-carboxamide is sourced from PubChem (CID 168823566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).