trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

C26H28F2N10O2 — CID 165132820

About trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (PubChem CID 165132820) has the molecular formula C26H28F2N10O2 and a molecular weight of 550.57 g/mol. Its IUPAC name is trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• PubChem CID: 165132820
• Molecular Formula: C26H28F2N10O2
• Molecular Weight: 550.57 g/mol
• Exact Mass: 550.24
• IUPAC Name: trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
• SMILES: CNC(=O)CNc1cc(C(F)F)cn2cc([C@@H](C)Nc3cc(NC(=O)[C@H]4C[C@@H]4c4nccc(C)n4)ncn3)nc12
• InChI: InChI=1S/C26H28F2N10O2/c1-13-4-5-30-24(34-13)16-7-17(16)26(40)37-21-8-20(32-12-33-21)35-14(2)19-11-38-10-15(23(27)28)6-18(25(38)36-19)31-9-22(39)29-3/h4-6,8,10-12,14,16-17,23,31H,7,9H2,1-3H3,(H,29,39)(H2,32,33,35,37,40)/t14-,16+,17+/m1/s1
• InChIKey: TYZJDBVUPWPQQM-PVAVHDDUSA-N
• XLogP: 3.23
• TPSA: 151.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.57
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide (CID 165132820) is trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is CNC(=O)CNc1cc(C(F)F)cn2cc([C@@H](C)Nc3cc(NC(=O)[C@H]4C[C@@H]4c4nccc(C)n4)ncn3)nc12.

What is the InChIKey of trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

The InChIKey is TYZJDBVUPWPQQM-PVAVHDDUSA-N. The full InChI is InChI=1S/C26H28F2N10O2/c1-13-4-5-30-24(34-13)16-7-17(16)26(40)37-21-8-20(32-12-33-21)35-14(2)19-11-38-10-15(23(27)28)6-18(25(38)36-19)31-9-22(39)29-3/h4-6,8,10-12,14,16-17,23,31H,7,9H2,1-3H3,(H,29,39)(H2,32,33,35,37,40)/t14-,16+,17+/m1/s1.

What are the key properties of trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide?

trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 550.57 g/mol, XLogP of 3.23, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-N-[6-[[(1R)-1-[6-(difluoromethyl)-8-[[2-(methylamino)-2-oxoethyl]amino]imidazo[1,2-a]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 165132820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).