2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C24H27F2N7O2 — CID 25010185

IUPAC2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC[C@H]1COCCN1c1nc(C2=CCN(C(=O)CN)CC2)cc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C24H27F2N7O2/c1-15-14-35-11-10-32(15)24-29-18(16-6-8-31(9-7-16)21(34)13-27)12-20(30-24)33-19-5-3-2-4-17(19)28-23(33)22(25)26/h2-6,12,15,22H,7-11,13-14,27H2,1H3/t15-/m0/s1
InChIKeyPWGLHKKPNDPQSR-HNNXBMFYSA-N
MW483.52 g/mol
LogP2.55
Rot. Bonds5

About 2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 25010185) has the molecular formula C24H27F2N7O2 and a molecular weight of 483.52 g/mol. Its IUPAC name is 2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID25010185
Molecular FormulaC24H27F2N7O2
Molecular Weight483.52 g/mol
Exact Mass483.22
IUPAC Name2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC[C@H]1COCCN1c1nc(C2=CCN(C(=O)CN)CC2)cc(-n2c(C(F)F)nc3ccccc32)n1
InChIInChI=1S/C24H27F2N7O2/c1-15-14-35-11-10-32(15)24-29-18(16-6-8-31(9-7-16)21(34)13-27)12-20(30-24)33-19-5-3-2-4-17(19)28-23(33)22(25)26/h2-6,12,15,22H,7-11,13-14,27H2,1H3/t15-/m0/s1
InChIKeyPWGLHKKPNDPQSR-HNNXBMFYSA-N
XLogP2.55
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 25010185) is 2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is C[C@H]1COCCN1c1nc(C2=CCN(C(=O)CN)CC2)cc(-n2c(C(F)F)nc3ccccc32)n1.
What is the InChIKey of 2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is PWGLHKKPNDPQSR-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H27F2N7O2/c1-15-14-35-11-10-32(15)24-29-18(16-6-8-31(9-7-16)21(34)13-27)12-20(30-24)33-19-5-3-2-4-17(19)28-23(33)22(25)26/h2-6,12,15,22H,7-11,13-14,27H2,1H3/t15-/m0/s1.
What are the key properties of 2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 483.52 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[6-[2-(difluoromethyl)benzimidazol-1-yl]-2-[(3S)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 25010185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).