2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide

C37H34F3N5O2 — CID 126611327

IUPAC2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCn1c(CNC(=O)C2CC2c2ccc(N)nc2)cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(F)cc3)c21
InChIInChI=1S/C37H34F3N5O2/c1-44-29(21-43-35(46)32-19-30(32)25-8-11-33(41)42-20-25)17-27-16-26(18-31(34(27)44)23-6-9-28(38)10-7-23)22-2-4-24(5-3-22)36(47)45-14-12-37(39,40)13-15-45/h2-11,16-18,20,30,32H,12-15,19,21H2,1H3,(H2,41,42)(H,43,46)
InChIKeyBEOSVEPSGHXMGI-UHFFFAOYSA-N
MW637.71 g/mol
LogP6.92
Rot. Bonds7

About 2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide

2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 126611327) has the molecular formula C37H34F3N5O2 and a molecular weight of 637.71 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID126611327
Molecular FormulaC37H34F3N5O2
Molecular Weight637.71 g/mol
Exact Mass637.27
IUPAC Name2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCn1c(CNC(=O)C2CC2c2ccc(N)nc2)cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(F)cc3)c21
InChIInChI=1S/C37H34F3N5O2/c1-44-29(21-43-35(46)32-19-30(32)25-8-11-33(41)42-20-25)17-27-16-26(18-31(34(27)44)23-6-9-28(38)10-7-23)22-2-4-24(5-3-22)36(47)45-14-12-37(39,40)13-15-45/h2-11,16-18,20,30,32H,12-15,19,21H2,1H3,(H2,41,42)(H,43,46)
InChIKeyBEOSVEPSGHXMGI-UHFFFAOYSA-N
XLogP6.92
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.71
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide (CID 126611327) is 2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide is Cn1c(CNC(=O)C2CC2c2ccc(N)nc2)cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(F)cc3)c21.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is BEOSVEPSGHXMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34F3N5O2/c1-44-29(21-43-35(46)32-19-30(32)25-8-11-33(41)42-20-25)17-27-16-26(18-31(34(27)44)23-6-9-28(38)10-7-23)22-2-4-24(5-3-22)36(47)45-14-12-37(39,40)13-15-45/h2-11,16-18,20,30,32H,12-15,19,21H2,1H3,(H2,41,42)(H,43,46).
What are the key properties of 2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide?
2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 637.71 g/mol, XLogP of 6.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126611327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).