N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide

C24H23FN6O — CID 67286015

IUPACN-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1Nc1nc(-c2c[nH]c3ncccc23)ncc1F)c1ccccc1
InChIInChI=1S/C24H23FN6O/c25-18-14-28-22(17-13-27-21-16(17)9-6-12-26-21)31-23(18)29-19-10-4-5-11-20(19)30-24(32)15-7-2-1-3-8-15/h1-3,6-9,12-14,19-20H,4-5,10-11H2,(H,26,27)(H,30,32)(H,28,29,31)
InChIKeyPEGZKCUQCMUZDO-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.31
Rot. Bonds5

About N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide

N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide (PubChem CID 67286015) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide
PubChem CID67286015
Molecular FormulaC24H23FN6O
Molecular Weight430.49 g/mol
Exact Mass430.19
IUPAC NameN-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1Nc1nc(-c2c[nH]c3ncccc23)ncc1F)c1ccccc1
InChIInChI=1S/C24H23FN6O/c25-18-14-28-22(17-13-27-21-16(17)9-6-12-26-21)31-23(18)29-19-10-4-5-11-20(19)30-24(32)15-7-2-1-3-8-15/h1-3,6-9,12-14,19-20H,4-5,10-11H2,(H,26,27)(H,30,32)(H,28,29,31)
InChIKeyPEGZKCUQCMUZDO-UHFFFAOYSA-N
XLogP4.31
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide?
The IUPAC name of N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide (CID 67286015) is N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide is O=C(NC1CCCCC1Nc1nc(-c2c[nH]c3ncccc23)ncc1F)c1ccccc1.
What is the InChIKey of N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide?
The InChIKey is PEGZKCUQCMUZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c25-18-14-28-22(17-13-27-21-16(17)9-6-12-26-21)31-23(18)29-19-10-4-5-11-20(19)30-24(32)15-7-2-1-3-8-15/h1-3,6-9,12-14,19-20H,4-5,10-11H2,(H,26,27)(H,30,32)(H,28,29,31).
What are the key properties of N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide?
N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide has a molecular weight of 430.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 67286015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).