7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide

C29H24ClF4N5O4 — CID 164911180

IUPAC7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3C(N)=O)C(F)(F)F)cc2cn(C3CC3)nc12
InChIInChI=1S/C29H24ClF4N5O4/c1-42-23-8-14(6-15-11-39(16-3-4-16)38-24(15)23)28(41)36-10-19(29(32,33)34)22-9-17-18(27(35)40)12-43-26(17)25(37-22)13-2-5-21(31)20(30)7-13/h2,5-9,11,16,18-19H,3-4,10,12H2,1H3,(H2,35,40)(H,36,41)
InChIKeyIVDRKXXWDIHOCE-UHFFFAOYSA-N
MW617.99 g/mol
LogP5.27
Rot. Bonds8

About 7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide

7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide (PubChem CID 164911180) has the molecular formula C29H24ClF4N5O4 and a molecular weight of 617.99 g/mol. Its IUPAC name is 7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide
PubChem CID164911180
Molecular FormulaC29H24ClF4N5O4
Molecular Weight617.99 g/mol
Exact Mass617.15
IUPAC Name7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3C(N)=O)C(F)(F)F)cc2cn(C3CC3)nc12
InChIInChI=1S/C29H24ClF4N5O4/c1-42-23-8-14(6-15-11-39(16-3-4-16)38-24(15)23)28(41)36-10-19(29(32,33)34)22-9-17-18(27(35)40)12-43-26(17)25(37-22)13-2-5-21(31)20(30)7-13/h2,5-9,11,16,18-19H,3-4,10,12H2,1H3,(H2,35,40)(H,36,41)
InChIKeyIVDRKXXWDIHOCE-UHFFFAOYSA-N
XLogP5.27
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.99
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide (CID 164911180) is 7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)c(Cl)c4)n2)OCC3C(N)=O)C(F)(F)F)cc2cn(C3CC3)nc12.
What is the InChIKey of 7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide?
The InChIKey is IVDRKXXWDIHOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClF4N5O4/c1-42-23-8-14(6-15-11-39(16-3-4-16)38-24(15)23)28(41)36-10-19(29(32,33)34)22-9-17-18(27(35)40)12-43-26(17)25(37-22)13-2-5-21(31)20(30)7-13/h2,5-9,11,16,18-19H,3-4,10,12H2,1H3,(H2,35,40)(H,36,41).
What are the key properties of 7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide?
7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide has a molecular weight of 617.99 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-fluorophenyl)-5-[3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-2,3-dihydrofuro[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164911180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).