2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C22H20F5N5O2 — CID 169249815

IUPAC2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESNC(=O)c1nccc2[nH]c(-c3cc(C4(C(F)(F)F)CC4)nn3C3CCC(F)(F)CC3)cc(=O)c12
InChIInChI=1S/C22H20F5N5O2/c23-21(24)4-1-11(2-5-21)32-14(10-16(31-32)20(6-7-20)22(25,26)27)13-9-15(33)17-12(30-13)3-8-29-18(17)19(28)34/h3,8-11H,1-2,4-7H2,(H2,28,34)(H,30,33)
InChIKeyASAIMMUPCHNQOM-UHFFFAOYSA-N
MW481.43 g/mol
LogP4.23
Rot. Bonds4

About 2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169249815) has the molecular formula C22H20F5N5O2 and a molecular weight of 481.43 g/mol. Its IUPAC name is 2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID169249815
Molecular FormulaC22H20F5N5O2
Molecular Weight481.43 g/mol
Exact Mass481.15
IUPAC Name2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESNC(=O)c1nccc2[nH]c(-c3cc(C4(C(F)(F)F)CC4)nn3C3CCC(F)(F)CC3)cc(=O)c12
InChIInChI=1S/C22H20F5N5O2/c23-21(24)4-1-11(2-5-21)32-14(10-16(31-32)20(6-7-20)22(25,26)27)13-9-15(33)17-12(30-13)3-8-29-18(17)19(28)34/h3,8-11H,1-2,4-7H2,(H2,28,34)(H,30,33)
InChIKeyASAIMMUPCHNQOM-UHFFFAOYSA-N
XLogP4.23
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.43
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 169249815) is 2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is NC(=O)c1nccc2[nH]c(-c3cc(C4(C(F)(F)F)CC4)nn3C3CCC(F)(F)CC3)cc(=O)c12.
What is the InChIKey of 2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is ASAIMMUPCHNQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F5N5O2/c23-21(24)4-1-11(2-5-21)32-14(10-16(31-32)20(6-7-20)22(25,26)27)13-9-15(33)17-12(30-13)3-8-29-18(17)19(28)34/h3,8-11H,1-2,4-7H2,(H2,28,34)(H,30,33).
What are the key properties of 2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 481.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-difluorocyclohexyl)-3-[1-(trifluoromethyl)cyclopropyl]pyrazol-5-yl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169249815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).