5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide

C25H28FN5O4 — CID 142922404

IUPAC5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccc(F)nc3c2NCC2CCC(N3CCOCC3=O)CC2)nc1
InChIInChI=1S/C25H28FN5O4/c1-15-2-9-20(27-12-15)30-25(33)24-23(22-18(35-24)7-8-19(26)29-22)28-13-16-3-5-17(6-4-16)31-10-11-34-14-21(31)32/h2,7-9,12,16-17,28H,3-6,10-11,13-14H2,1H3,(H,27,30,33)
InChIKeyFHFWIMJRVDROQJ-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.75
Rot. Bonds6

About 5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide

5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide (PubChem CID 142922404) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is 5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide
PubChem CID142922404
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC Name5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2oc3ccc(F)nc3c2NCC2CCC(N3CCOCC3=O)CC2)nc1
InChIInChI=1S/C25H28FN5O4/c1-15-2-9-20(27-12-15)30-25(33)24-23(22-18(35-24)7-8-19(26)29-22)28-13-16-3-5-17(6-4-16)31-10-11-34-14-21(31)32/h2,7-9,12,16-17,28H,3-6,10-11,13-14H2,1H3,(H,27,30,33)
InChIKeyFHFWIMJRVDROQJ-UHFFFAOYSA-N
XLogP3.75
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CA-4948
CID 118224238
YM-201636
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1-[7-(5-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280149
1-[7-(6-aminopyrazin-2-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
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1-[7-(6-amino-2-pyridyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 5280184
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[5-(methylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280219
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958720
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyrimidin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280168
2-[4-[[2-(2-Aminopyrimidin-5-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl]methyl]piperazine-1-carbonyl]-1-benzofuran-7-carboxamide
CID 164625133
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b]pyridin-5-yl]-benzamide
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CID 10000386
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(1-benzyl-2-oxazolo[4,5-b]pyridin-2-yl-2-oxo-ethyl)-acetamide
CID 10577682

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide (CID 142922404) is 5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2oc3ccc(F)nc3c2NCC2CCC(N3CCOCC3=O)CC2)nc1.
What is the InChIKey of 5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is FHFWIMJRVDROQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-15-2-9-20(27-12-15)30-25(33)24-23(22-18(35-24)7-8-19(26)29-22)28-13-16-3-5-17(6-4-16)31-10-11-34-14-21(31)32/h2,7-9,12,16-17,28H,3-6,10-11,13-14H2,1H3,(H,27,30,33).
What are the key properties of 5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide?
5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-methyl-2-pyridinyl)-3-[[4-(3-oxomorpholin-4-yl)cyclohexyl]methylamino]furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 142922404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).