N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide

C24H18F4N4O3 — CID 73058075

IUPACN-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide
SMILESCn1ncc2cc(C(=O)N[C@]3(c4ccc(OC(F)(F)F)c(F)c4)CCOc4cccnc43)ccc21
InChIInChI=1S/C24H18F4N4O3/c1-32-18-6-4-14(11-15(18)13-30-32)22(33)31-23(8-10-34-20-3-2-9-29-21(20)23)16-5-7-19(17(25)12-16)35-24(26,27)28/h2-7,9,11-13H,8,10H2,1H3,(H,31,33)/t23-/m0/s1
InChIKeyFLCQBXJVAAHFST-QHCPKHFHSA-N
MW486.43 g/mol
LogP4.46
Rot. Bonds4

About N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide

N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide (PubChem CID 73058075) has the molecular formula C24H18F4N4O3 and a molecular weight of 486.43 g/mol. Its IUPAC name is N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide
PubChem CID73058075
Molecular FormulaC24H18F4N4O3
Molecular Weight486.43 g/mol
Exact Mass486.13
IUPAC NameN-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide
SMILESCn1ncc2cc(C(=O)N[C@]3(c4ccc(OC(F)(F)F)c(F)c4)CCOc4cccnc43)ccc21
InChIInChI=1S/C24H18F4N4O3/c1-32-18-6-4-14(11-15(18)13-30-32)22(33)31-23(8-10-34-20-3-2-9-29-21(20)23)16-5-7-19(17(25)12-16)35-24(26,27)28/h2-7,9,11-13H,8,10H2,1H3,(H,31,33)/t23-/m0/s1
InChIKeyFLCQBXJVAAHFST-QHCPKHFHSA-N
XLogP4.46
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide?
The IUPAC name of N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide (CID 73058075) is N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide.
What is the SMILES notation for N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide?
The canonical SMILES for N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide is Cn1ncc2cc(C(=O)N[C@]3(c4ccc(OC(F)(F)F)c(F)c4)CCOc4cccnc43)ccc21.
What is the InChIKey of N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide?
The InChIKey is FLCQBXJVAAHFST-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H18F4N4O3/c1-32-18-6-4-14(11-15(18)13-30-32)22(33)31-23(8-10-34-20-3-2-9-29-21(20)23)16-5-7-19(17(25)12-16)35-24(26,27)28/h2-7,9,11-13H,8,10H2,1H3,(H,31,33)/t23-/m0/s1.
What are the key properties of N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide?
N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide has a molecular weight of 486.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-methylindazole-5-carboxamide is sourced from PubChem (CID 73058075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).