4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide

C27H28FN7O — CID 138589444

IUPAC4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide
SMILESCC(C)N1CCC(Nc2cncc(-c3ccc4cnc(NC(=O)c5ccc(F)cc5)cc4n3)n2)CC1
InChIInChI=1S/C27H28FN7O/c1-17(2)35-11-9-21(10-12-35)31-26-16-29-15-24(33-26)22-8-5-19-14-30-25(13-23(19)32-22)34-27(36)18-3-6-20(28)7-4-18/h3-8,13-17,21H,9-12H2,1-2H3,(H,31,33)(H,30,34,36)
InChIKeyPLVGBNZPCJQSCW-UHFFFAOYSA-N
MW485.57 g/mol
LogP4.76
Rot. Bonds6

About 4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide

4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide (PubChem CID 138589444) has the molecular formula C27H28FN7O and a molecular weight of 485.57 g/mol. Its IUPAC name is 4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide
PubChem CID138589444
Molecular FormulaC27H28FN7O
Molecular Weight485.57 g/mol
Exact Mass485.23
IUPAC Name4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide
SMILESCC(C)N1CCC(Nc2cncc(-c3ccc4cnc(NC(=O)c5ccc(F)cc5)cc4n3)n2)CC1
InChIInChI=1S/C27H28FN7O/c1-17(2)35-11-9-21(10-12-35)31-26-16-29-15-24(33-26)22-8-5-19-14-30-25(13-23(19)32-22)34-27(36)18-3-6-20(28)7-4-18/h3-8,13-17,21H,9-12H2,1-2H3,(H,31,33)(H,30,34,36)
InChIKeyPLVGBNZPCJQSCW-UHFFFAOYSA-N
XLogP4.76
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[6-[6-[(1-methylpiperidin-4-yl)amino]pyrazin-2-yl]isoquinolin-3-yl]benzamide
CID 138586265
4-fluoro-N-[2-[5-(piperidin-4-ylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]benzamide
CID 138590307
N-[2-[6-(piperidin-4-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]oxane-4-carboxamide
CID 138588021
1-cyclopentyl-2-[7-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]quinazolin-2-yl]ethanone
CID 146993840
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]-5-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 138589617
4-fluoro-N-[6-[6-[[(3S)-3-fluoropiperidin-4-yl]amino]pyrazin-2-yl]isoquinolin-3-yl]benzamide
CID 142575557
N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)triazole-4-carboxamide
CID 138590950
tert-butyl 4-[4-[[2-[6-(propan-2-ylamino)pyrazin-2-yl]-1,6-naphthyridin-7-yl]carbamoyl]triazol-1-yl]piperidine-1-carboxylate
CID 138591386
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide
CID 113024447
4,4-difluoro-N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138590652
N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 138590480
[1-[6-[3-[(4-fluorobenzoyl)amino]isoquinolin-6-yl]pyrazin-2-yl]azetidin-3-yl]carbamic acid
CID 138586296

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide (CID 138589444) is 4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide is CC(C)N1CCC(Nc2cncc(-c3ccc4cnc(NC(=O)c5ccc(F)cc5)cc4n3)n2)CC1.
What is the InChIKey of 4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide?
The InChIKey is PLVGBNZPCJQSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O/c1-17(2)35-11-9-21(10-12-35)31-26-16-29-15-24(33-26)22-8-5-19-14-30-25(13-23(19)32-22)34-27(36)18-3-6-20(28)7-4-18/h3-8,13-17,21H,9-12H2,1-2H3,(H,31,33)(H,30,34,36).
What are the key properties of 4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide?
4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide has a molecular weight of 485.57 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[6-[(1-propan-2-ylpiperidin-4-yl)amino]pyrazin-2-yl]-1,6-naphthyridin-7-yl]benzamide is sourced from PubChem (CID 138589444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).