N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide

C29H30F2N4O2 — CID 66873139

IUPACN-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide
SMILESO=C(N[C@@H](c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2ccncc23)cn1)C1CCC1
InChIInChI=1S/C29H30F2N4O2/c30-24-6-5-21(14-25(24)31)27(34-28(36)20-2-1-3-20)26-7-4-19(15-33-26)17-35-12-9-29(10-13-35)23-16-32-11-8-22(23)18-37-29/h4-8,11,14-16,20,27H,1-3,9-10,12-13,17-18H2,(H,34,36)/t27-/m0/s1
InChIKeyDVVJHAZCWJDXHI-MHZLTWQESA-N
MW504.58 g/mol
LogP4.78
Rot. Bonds6

About N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide

N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide (PubChem CID 66873139) has the molecular formula C29H30F2N4O2 and a molecular weight of 504.58 g/mol. Its IUPAC name is N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide
PubChem CID66873139
Molecular FormulaC29H30F2N4O2
Molecular Weight504.58 g/mol
Exact Mass504.23
IUPAC NameN-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide
SMILESO=C(N[C@@H](c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2ccncc23)cn1)C1CCC1
InChIInChI=1S/C29H30F2N4O2/c30-24-6-5-21(14-25(24)31)27(34-28(36)20-2-1-3-20)26-7-4-19(15-33-26)17-35-12-9-29(10-13-35)23-16-32-11-8-22(23)18-37-29/h4-8,11,14-16,20,27H,1-3,9-10,12-13,17-18H2,(H,34,36)/t27-/m0/s1
InChIKeyDVVJHAZCWJDXHI-MHZLTWQESA-N
XLogP4.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 66873108
1'-[[4-[chloro-(3,4-difluorophenyl)methyl]phenyl]methyl]spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
CID 66873181
1-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methyl]pyridin-2-one
CID 66873195
(R)-N-[(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methylidene]-2-methylpropane-2-sulfinamide
CID 87186358
N-[(E)-[(3,4-difluorophenyl)-[4-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)phenyl]methylidene]amino]-N-methylacetamide
CID 87616402
N-[(E)-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]amino]acetamide
CID 87649970
N-[[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]amino]acetamide
CID 87649971
3-[[(3,4-difluorophenyl)-[5-[(5-methyl-6-oxospiro[3H-furo[3,4-c]pyridine-1,4'-piperidine]-1'-yl)methyl]-2-pyridinyl]methylidene]amino]oxypropanenitrile
CID 91135668
1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide
CID 133191601
2-(3,4-difluorophenyl)-N-[3-(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)propyl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
CID 10097500
(E)-3-(4-chlorophenyl)-1-spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylprop-2-en-1-one
CID 166307470
2-(3,4-difluorophenyl)-N-[3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 10255465

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide (CID 66873139) is N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide is O=C(N[C@@H](c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2ccncc23)cn1)C1CCC1.
What is the InChIKey of N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide?
The InChIKey is DVVJHAZCWJDXHI-MHZLTWQESA-N. The full InChI is InChI=1S/C29H30F2N4O2/c30-24-6-5-21(14-25(24)31)27(34-28(36)20-2-1-3-20)26-7-4-19(15-33-26)17-35-12-9-29(10-13-35)23-16-32-11-8-22(23)18-37-29/h4-8,11,14-16,20,27H,1-3,9-10,12-13,17-18H2,(H,34,36)/t27-/m0/s1.
What are the key properties of N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide?
N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide has a molecular weight of 504.58 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3,4-difluorophenyl)-[5-(spiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-ylmethyl)-2-pyridinyl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 66873139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).