fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate

C26H28F3N3O4 — CID 143859256

IUPACfluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate
SMILESCc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)OF)cn2)C2CCCCC2)oc2c(F)cc(F)cc12
InChIInChI=1S/C26H28F3N3O4/c1-15-19-12-18(27)13-20(28)25(19)35-24(15)23(16-6-4-3-5-7-16)31-21-9-8-17(14-30-21)26(34)32(2)11-10-22(33)36-29/h8-9,12-14,16,23H,3-7,10-11H2,1-2H3,(H,30,31)
InChIKeyLPWYWZAJFJZEBC-UHFFFAOYSA-N
MW503.52 g/mol
LogP6.04
Rot. Bonds8

About fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate

fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate (PubChem CID 143859256) has the molecular formula C26H28F3N3O4 and a molecular weight of 503.52 g/mol. Its IUPAC name is fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate.

Molecular Properties

Compound Namefluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate
PubChem CID143859256
Molecular FormulaC26H28F3N3O4
Molecular Weight503.52 g/mol
Exact Mass503.20
IUPAC Namefluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate
SMILESCc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)OF)cn2)C2CCCCC2)oc2c(F)cc(F)cc12
InChIInChI=1S/C26H28F3N3O4/c1-15-19-12-18(27)13-20(28)25(19)35-24(15)23(16-6-4-3-5-7-16)31-21-9-8-17(14-30-21)26(34)32(2)11-10-22(33)36-29/h8-9,12-14,16,23H,3-7,10-11H2,1-2H3,(H,30,31)
InChIKeyLPWYWZAJFJZEBC-UHFFFAOYSA-N
XLogP6.04
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.52
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate 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

Afn-1252
CID 10407120
Padnarsertib
CID 117779453
N-Methyl-N-[(3-Methyl-1-Benzofuran-2-Yl)methyl]-3-(7-Oxo-5,6,7,8-Tetrahydro-1,8-Naphthyridin-3-Yl)propanamide
CID 57576874
1-[(4-fluorophenyl)methyl]-6-(furan-2-yl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 118719605
3-methyl-N-(5-methyl-2-pyridinyl)-2-benzofurancarboxamide
CID 18106749
3-methyl-N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 21211963
(E)-N-Methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(2-oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)acrylamide
CID 16659988
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(3-oxo-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide
CID 16660305
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-8-yl)prop-2-enamide
CID 23657990
(E)-3-(1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-8-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide
CID 24891659
(E)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)-3-(2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-8-yl)acrylamide
CID 24891660
(E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(4-oxo-2,3,5,6-tetrahydro-1H-pyrido[2,3-b][1,5]diazocin-8-yl)prop-2-enamide
CID 45487644

Frequently Asked Questions

What is the IUPAC name of fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate?
The IUPAC name of fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate (CID 143859256) is fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate.
What is the SMILES notation for fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate?
The canonical SMILES for fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate is Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)OF)cn2)C2CCCCC2)oc2c(F)cc(F)cc12.
What is the InChIKey of fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate?
The InChIKey is LPWYWZAJFJZEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O4/c1-15-19-12-18(27)13-20(28)25(19)35-24(15)23(16-6-4-3-5-7-16)31-21-9-8-17(14-30-21)26(34)32(2)11-10-22(33)36-29/h8-9,12-14,16,23H,3-7,10-11H2,1-2H3,(H,30,31).
What are the key properties of fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate?
fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate has a molecular weight of 503.52 g/mol, XLogP of 6.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-[[6-[[cyclohexyl-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)methyl]amino]pyridine-3-carbonyl]-methylamino]propanoate is sourced from PubChem (CID 143859256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).