4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide

C24H27F2N7O2 — CID 71113529

IUPAC4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(F)(F)C(CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C24H27F2N7O2/c25-24(26)5-8-33(23(27)34)15-17(24)14-30-22-21-20(28-6-7-29-21)13-19(31-22)16-1-3-18(4-2-16)32-9-11-35-12-10-32/h1-4,6-7,13,17H,5,8-12,14-15H2,(H2,27,34)(H,30,31)
InChIKeyWJIZZAAYOMJAEV-UHFFFAOYSA-N
MW483.52 g/mol
LogP2.98
Rot. Bonds5

About 4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide

4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide (PubChem CID 71113529) has the molecular formula C24H27F2N7O2 and a molecular weight of 483.52 g/mol. Its IUPAC name is 4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide
PubChem CID71113529
Molecular FormulaC24H27F2N7O2
Molecular Weight483.52 g/mol
Exact Mass483.22
IUPAC Name4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(F)(F)C(CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C24H27F2N7O2/c25-24(26)5-8-33(23(27)34)15-17(24)14-30-22-21-20(28-6-7-29-21)13-19(31-22)16-1-3-18(4-2-16)32-9-11-35-12-10-32/h1-4,6-7,13,17H,5,8-12,14-15H2,(H2,27,34)(H,30,31)
InChIKeyWJIZZAAYOMJAEV-UHFFFAOYSA-N
XLogP2.98
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

Sovleplenib
CID 71113742
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698
3-{4-[(2,4-difluorophenyl)methyl]piperazin-1-yl}-7-methyl-N-(propan-2-yl)pyrido[3,4-b]pyrazin-2-amine
CID 118310209
(4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyridin-2-yl)-pyrido[3,2-d]pyrimidin-4-yl]amine
CID 10151288
2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
1-[[2-(4-Methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-quinolin-5-ylurea
CID 71237040
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-morpholin-4-yl-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873224
4-N-(3-methylphenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328378
4-N-(3-methylphenyl)-6-N-[3-(morpholin-4-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328379
N~4~-[4-(Morpholin-4-Yl)phenyl]-N~6~-(Pyridin-3-Ylmethyl)pyrido[3,2-D]pyrimidine-4,6-Diamine
CID 73386687

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide (CID 71113529) is 4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide is NC(=O)N1CCC(F)(F)C(CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1.
What is the InChIKey of 4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide?
The InChIKey is WJIZZAAYOMJAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7O2/c25-24(26)5-8-33(23(27)34)15-17(24)14-30-22-21-20(28-6-7-29-21)13-19(31-22)16-1-3-18(4-2-16)32-9-11-35-12-10-32/h1-4,6-7,13,17H,5,8-12,14-15H2,(H2,27,34)(H,30,31).
What are the key properties of 4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide?
4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide has a molecular weight of 483.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71113529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).