N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide

C22H23ClFN5O3 — CID 10095754

IUPACN-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide
SMILESCN(C)C1CCC(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccc(F)nc23)CC1
InChIInChI=1S/C22H23ClFN5O3/c1-29(2)14-6-3-12(4-7-14)21(30)28-19-18-15(8-9-16(24)26-18)32-20(19)22(31)27-17-10-5-13(23)11-25-17/h5,8-12,14H,3-4,6-7H2,1-2H3,(H,28,30)(H,25,27,31)
InChIKeyLFEMFHRMFLCQPS-UHFFFAOYSA-N
MW459.91 g/mol
LogP4.33
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide (PubChem CID 10095754) has the molecular formula C22H23ClFN5O3 and a molecular weight of 459.91 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide
PubChem CID10095754
Molecular FormulaC22H23ClFN5O3
Molecular Weight459.91 g/mol
Exact Mass459.15
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide
SMILESCN(C)C1CCC(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccc(F)nc23)CC1
InChIInChI=1S/C22H23ClFN5O3/c1-29(2)14-6-3-12(4-7-14)21(30)28-19-18-15(8-9-16(24)26-18)32-20(19)22(31)27-17-10-5-13(23)11-25-17/h5,8-12,14H,3-4,6-7H2,1-2H3,(H,28,30)(H,25,27,31)
InChIKeyLFEMFHRMFLCQPS-UHFFFAOYSA-N
XLogP4.33
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.91
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide with MolForge

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Related Compounds

2-[(3-chlorophenyl)methyl]-N-[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]-6-methyl-[1,3]oxazolo[4,5-c]pyridin-4-amine
CID 10002821
[2-(3-Chloro-benzyl)-6-methyl-oxazolo[4,5-c]pyridin-4-yl]-(2,2-difluoro-2-pyridin-2-yl-ethyl)-amine
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2-Chloro-6-fluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b]pyridin-5-yl]-benzamide
CID 44386896
2-Chloro-4-fluoro-N-[3-(1-methyl-piperidin-4-yl)-furo[3,2-b]pyridin-5-yl]-benzamide
CID 44387174
N3-(3-Chloro-4-fluorophenyl)-7-(2-morpholino-pyridin-4-yl)furo[2,3-c]pyridine-2,3-diamine
CID 117704863
N-(1-(3-Chloropyridin-2-yl)piperidin-4-yl)-7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxamide
CID 59636728
US10239887, Cpd. No. 60
CID 132254644
4-(2-Amino-3-((3-chloro-4-fluorophenyl) amino)furo[2,3-c]pyridin-7-yl)-N-(pyridin-2-yl)picolinamide
CID 117704885
CID 134296695
CID 134296695
4-[3-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]oxy-N-(5-chloro-2-pyridinyl)benzamide
CID 156014910
13,14-difluoro-7-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-17-oxa-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,8,11,13,15-heptaen-6-one
CID 162656125
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CID 118644435

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide (CID 10095754) is N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide is CN(C)C1CCC(C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccc(F)nc23)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide?
The InChIKey is LFEMFHRMFLCQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN5O3/c1-29(2)14-6-3-12(4-7-14)21(30)28-19-18-15(8-9-16(24)26-18)32-20(19)22(31)27-17-10-5-13(23)11-25-17/h5,8-12,14H,3-4,6-7H2,1-2H3,(H,28,30)(H,25,27,31).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide has a molecular weight of 459.91 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-5-fluorofuro[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 10095754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).