7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine

C23H25ClF2N6O — CID 71113843

IUPAC7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESFC1(F)CCNCC1CNc1nc(-c2ccc(N3CCOCC3)c(Cl)c2)cc2nccnc12
InChIInChI=1S/C23H25ClF2N6O/c24-17-11-15(1-2-20(17)32-7-9-33-10-8-32)18-12-19-21(29-6-5-28-19)22(31-18)30-14-16-13-27-4-3-23(16,25)26/h1-2,5-6,11-12,16,27H,3-4,7-10,13-14H2,(H,30,31)
InChIKeyLLRTXKHCMCNPPN-UHFFFAOYSA-N
MW474.94 g/mol
LogP3.84
Rot. Bonds5

About 7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine

7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 71113843) has the molecular formula C23H25ClF2N6O and a molecular weight of 474.94 g/mol. Its IUPAC name is 7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID71113843
Molecular FormulaC23H25ClF2N6O
Molecular Weight474.94 g/mol
Exact Mass474.17
IUPAC Name7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine
SMILESFC1(F)CCNCC1CNc1nc(-c2ccc(N3CCOCC3)c(Cl)c2)cc2nccnc12
InChIInChI=1S/C23H25ClF2N6O/c24-17-11-15(1-2-20(17)32-7-9-33-10-8-32)18-12-19-21(29-6-5-28-19)22(31-18)30-14-16-13-27-4-3-23(16,25)26/h1-2,5-6,11-12,16,27H,3-4,7-10,13-14H2,(H,30,31)
InChIKeyLLRTXKHCMCNPPN-UHFFFAOYSA-N
XLogP3.84
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.94
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of 7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine (CID 71113843) is 7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for 7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine is FC1(F)CCNCC1CNc1nc(-c2ccc(N3CCOCC3)c(Cl)c2)cc2nccnc12.
What is the InChIKey of 7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is LLRTXKHCMCNPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N6O/c24-17-11-15(1-2-20(17)32-7-9-33-10-8-32)18-12-19-21(29-6-5-28-19)22(31-18)30-14-16-13-27-4-3-23(16,25)26/h1-2,5-6,11-12,16,27H,3-4,7-10,13-14H2,(H,30,31).
What are the key properties of 7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine?
7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 474.94 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-morpholin-4-ylphenyl)-N-[(4,4-difluoropiperidin-3-yl)methyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 71113843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).