2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide

C24H19F3N4O3 — CID 90039617

IUPAC2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide
SMILESCn1cc2cccc(C(=O)N[C@]3(c4ccc(OC(F)(F)F)cc4)CCOc4cccnc43)c2n1
InChIInChI=1S/C24H19F3N4O3/c1-31-14-15-4-2-5-18(20(15)30-31)22(32)29-23(11-13-33-19-6-3-12-28-21(19)23)16-7-9-17(10-8-16)34-24(25,26)27/h2-10,12,14H,11,13H2,1H3,(H,29,32)/t23-/m0/s1
InChIKeyUZIHMUAKBMJXLY-QHCPKHFHSA-N
MW468.44 g/mol
LogP4.32
Rot. Bonds4

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

2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide (PubChem CID 90039617) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is 2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide
PubChem CID90039617
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Name2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide
SMILESCn1cc2cccc(C(=O)N[C@]3(c4ccc(OC(F)(F)F)cc4)CCOc4cccnc43)c2n1
InChIInChI=1S/C24H19F3N4O3/c1-31-14-15-4-2-5-18(20(15)30-31)22(32)29-23(11-13-33-19-6-3-12-28-21(19)23)16-7-9-17(10-8-16)34-24(25,26)27/h2-10,12,14H,11,13H2,1H3,(H,29,32)/t23-/m0/s1
InChIKeyUZIHMUAKBMJXLY-QHCPKHFHSA-N
XLogP4.32
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide?
The IUPAC name of 2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide (CID 90039617) is 2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide?
The canonical SMILES for 2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide is Cn1cc2cccc(C(=O)N[C@]3(c4ccc(OC(F)(F)F)cc4)CCOc4cccnc43)c2n1.
What is the InChIKey of 2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide?
The InChIKey is UZIHMUAKBMJXLY-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c1-31-14-15-4-2-5-18(20(15)30-31)22(32)29-23(11-13-33-19-6-3-12-28-21(19)23)16-7-9-17(10-8-16)34-24(25,26)27/h2-10,12,14H,11,13H2,1H3,(H,29,32)/t23-/m0/s1.
What are the key properties of 2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide?
2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indazole-7-carboxamide is sourced from PubChem (CID 90039617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).