2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C24H23F3N4O3 — CID 90039749

IUPAC2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc2c(c1C(=O)NC1(c3ccc(OC(F)(F)F)cc3)CCOc3cccnc31)CCCC2
InChIInChI=1S/C24H23F3N4O3/c1-31-20(17-5-2-3-6-18(17)30-31)22(32)29-23(12-14-33-19-7-4-13-28-21(19)23)15-8-10-16(11-9-15)34-24(25,26)27/h4,7-11,13H,2-3,5-6,12,14H2,1H3,(H,29,32)
InChIKeyUMEZSNRNZMZVNK-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.05
Rot. Bonds4

About 2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 90039749) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID90039749
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc2c(c1C(=O)NC1(c3ccc(OC(F)(F)F)cc3)CCOc3cccnc31)CCCC2
InChIInChI=1S/C24H23F3N4O3/c1-31-20(17-5-2-3-6-18(17)30-31)22(32)29-23(12-14-33-19-7-4-13-28-21(19)23)15-8-10-16(11-9-15)34-24(25,26)27/h4,7-11,13H,2-3,5-6,12,14H2,1H3,(H,29,32)
InChIKeyUMEZSNRNZMZVNK-UHFFFAOYSA-N
XLogP4.05
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate
CID 123688198
2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide
CID 90039619
N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90039800
N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide
CID 90038857
N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide
CID 90040204
N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]isoquinoline-5-carboxamide
CID 90039843
N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-benzimidazole-4-carboxamide
CID 90039976
4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 123628649
N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 73056275
methyl 6-[[(4S)-4-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]pyridine-3-carboxylate
CID 90039328
(4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol
CID 129388315
5-[[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]-1H-pyrrole-3-carboxylic acid
CID 90039489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 90039749) is 2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc2c(c1C(=O)NC1(c3ccc(OC(F)(F)F)cc3)CCOc3cccnc31)CCCC2.
What is the InChIKey of 2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is UMEZSNRNZMZVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-31-20(17-5-2-3-6-18(17)30-31)22(32)29-23(12-14-33-19-7-4-13-28-21(19)23)15-8-10-16(11-9-15)34-24(25,26)27/h4,7-11,13H,2-3,5-6,12,14H2,1H3,(H,29,32).
What are the key properties of 2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 90039749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).