N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide

C24H25ClFN5O4 — CID 10074751

IUPACN-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1oc2ccc(F)nc2c1NC(=O)C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H25ClFN5O4/c25-15-3-8-19(27-13-15)29-24(33)22-21(20-17(35-22)6-7-18(26)28-20)30-23(32)14-1-4-16(5-2-14)31-9-11-34-12-10-31/h3,6-8,13-14,16H,1-2,4-5,9-12H2,(H,30,32)(H,27,29,33)
InChIKeyZJCFWQDIRSVJMZ-UHFFFAOYSA-N
MW501.95 g/mol
LogP4.10
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide

N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide (PubChem CID 10074751) has the molecular formula C24H25ClFN5O4 and a molecular weight of 501.95 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide
PubChem CID10074751
Molecular FormulaC24H25ClFN5O4
Molecular Weight501.95 g/mol
Exact Mass501.16
IUPAC NameN-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1oc2ccc(F)nc2c1NC(=O)C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C24H25ClFN5O4/c25-15-3-8-19(27-13-15)29-24(33)22-21(20-17(35-22)6-7-18(26)28-20)30-23(32)14-1-4-16(5-2-14)31-9-11-34-12-10-31/h3,6-8,13-14,16H,1-2,4-5,9-12H2,(H,30,32)(H,27,29,33)
InChIKeyZJCFWQDIRSVJMZ-UHFFFAOYSA-N
XLogP4.10
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.95
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide (CID 10074751) is N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide is O=C(Nc1ccc(Cl)cn1)c1oc2ccc(F)nc2c1NC(=O)C1CCC(N2CCOCC2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide?
The InChIKey is ZJCFWQDIRSVJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O4/c25-15-3-8-19(27-13-15)29-24(33)22-21(20-17(35-22)6-7-18(26)28-20)30-23(32)14-1-4-16(5-2-14)31-9-11-34-12-10-31/h3,6-8,13-14,16H,1-2,4-5,9-12H2,(H,30,32)(H,27,29,33).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide has a molecular weight of 501.95 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-fluoro-3-[(4-morpholin-4-ylcyclohexanecarbonyl)amino]furo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 10074751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).