2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide

C23H24F2N6O2 — CID 90460448

IUPAC2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cncc(N4CCOCC4)n3)c2)ccn1
InChIInChI=1S/C23H24F2N6O2/c1-3-23(24,25)20-10-16(4-5-27-20)22(32)29-17-11-18(15(2)28-12-17)19-13-26-14-21(30-19)31-6-8-33-9-7-31/h4-5,10-14H,3,6-9H2,1-2H3,(H,29,32)
InChIKeyHQUDDILRHDJPLI-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.83
Rot. Bonds6

About 2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide

2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 90460448) has the molecular formula C23H24F2N6O2 and a molecular weight of 454.48 g/mol. Its IUPAC name is 2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID90460448
Molecular FormulaC23H24F2N6O2
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cncc(N4CCOCC4)n3)c2)ccn1
InChIInChI=1S/C23H24F2N6O2/c1-3-23(24,25)20-10-16(4-5-27-20)22(32)29-17-11-18(15(2)28-12-17)19-13-26-14-21(30-19)31-6-8-33-9-7-31/h4-5,10-14H,3,6-9H2,1-2H3,(H,29,32)
InChIKeyHQUDDILRHDJPLI-UHFFFAOYSA-N
XLogP3.83
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 57861407
CID 46927297
CID 46927297
CID 68161871
CID 68161871
CID 16118605
CID 16118605
CID 16118609
CID 16118609
CID 142580242
CID 142580242
CID 46901384
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CID 46901385
CID 46901385

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 90460448) is 2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide is CCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cncc(N4CCOCC4)n3)c2)ccn1.
What is the InChIKey of 2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is HQUDDILRHDJPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c1-3-23(24,25)20-10-16(4-5-27-20)22(32)29-17-11-18(15(2)28-12-17)19-13-26-14-21(30-19)31-6-8-33-9-7-31/h4-5,10-14H,3,6-9H2,1-2H3,(H,29,32).
What are the key properties of 2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 90460448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).