2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide

C24H22F2N8O — CID 68684781

IUPAC2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide
SMILESC[C@H](Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1cccc(CNCC(N)=O)c1
InChIInChI=1S/C24H22F2N8O/c1-14(16-5-2-4-15(8-16)10-29-13-20(28)35)32-24-31-11-17(9-27)21(33-24)19-12-30-23-18(22(25)26)6-3-7-34(19)23/h2-8,11-12,14,22,29H,10,13H2,1H3,(H2,28,35)(H,31,32,33)/t14-/m0/s1
InChIKeyJPULEAAEVRZSEJ-AWEZNQCLSA-N
MW476.49 g/mol
LogP3.35
Rot. Bonds9

About 2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide

2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide (PubChem CID 68684781) has the molecular formula C24H22F2N8O and a molecular weight of 476.49 g/mol. Its IUPAC name is 2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide
PubChem CID68684781
Molecular FormulaC24H22F2N8O
Molecular Weight476.49 g/mol
Exact Mass476.19
IUPAC Name2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide
SMILESC[C@H](Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1cccc(CNCC(N)=O)c1
InChIInChI=1S/C24H22F2N8O/c1-14(16-5-2-4-15(8-16)10-29-13-20(28)35)32-24-31-11-17(9-27)21(33-24)19-12-30-23-18(22(25)26)6-3-7-34(19)23/h2-8,11-12,14,22,29H,10,13H2,1H3,(H2,28,35)(H,31,32,33)/t14-/m0/s1
InChIKeyJPULEAAEVRZSEJ-AWEZNQCLSA-N
XLogP3.35
TPSA134.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide?
The IUPAC name of 2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide (CID 68684781) is 2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide.
What is the SMILES notation for 2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide?
The canonical SMILES for 2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide is C[C@H](Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1cccc(CNCC(N)=O)c1.
What is the InChIKey of 2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide?
The InChIKey is JPULEAAEVRZSEJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H22F2N8O/c1-14(16-5-2-4-15(8-16)10-29-13-20(28)35)32-24-31-11-17(9-27)21(33-24)19-12-30-23-18(22(25)26)6-3-7-34(19)23/h2-8,11-12,14,22,29H,10,13H2,1H3,(H2,28,35)(H,31,32,33)/t14-/m0/s1.
What are the key properties of 2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide?
2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide has a molecular weight of 476.49 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(1S)-1-[[5-cyano-4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methylamino]acetamide is sourced from PubChem (CID 68684781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).