N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide

C24H27F2N7O2 — CID 170730433

IUPACN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cccc([C@@H]3CN(C)CCO3)n2)cn1
InChIInChI=1S/C24H27F2N7O2/c1-14-10-22(32-23(28-14)24(3,25)26)31-19-11-21(29-15(2)34)27-12-16(19)17-6-5-7-18(30-17)20-13-33(4)8-9-35-20/h5-7,10-12,20H,8-9,13H2,1-4H3,(H2,27,28,29,31,32,34)/t20-/m0/s1
InChIKeyHTEQSUCADNSCIW-FQEVSTJZSA-N
MW483.52 g/mol
LogP4.06
Rot. Bonds6

About N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide

N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 170730433) has the molecular formula C24H27F2N7O2 and a molecular weight of 483.52 g/mol. Its IUPAC name is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide
PubChem CID170730433
Molecular FormulaC24H27F2N7O2
Molecular Weight483.52 g/mol
Exact Mass483.22
IUPAC NameN-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cccc([C@@H]3CN(C)CCO3)n2)cn1
InChIInChI=1S/C24H27F2N7O2/c1-14-10-22(32-23(28-14)24(3,25)26)31-19-11-21(29-15(2)34)27-12-16(19)17-6-5-7-18(30-17)20-13-33(4)8-9-35-20/h5-7,10-12,20H,8-9,13H2,1-4H3,(H2,27,28,29,31,32,34)/t20-/m0/s1
InChIKeyHTEQSUCADNSCIW-FQEVSTJZSA-N
XLogP4.06
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide (CID 170730433) is N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)nc(C(C)(F)F)n2)c(-c2cccc([C@@H]3CN(C)CCO3)n2)cn1.
What is the InChIKey of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is HTEQSUCADNSCIW-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27F2N7O2/c1-14-10-22(32-23(28-14)24(3,25)26)31-19-11-21(29-15(2)34)27-12-16(19)17-6-5-7-18(30-17)20-13-33(4)8-9-35-20/h5-7,10-12,20H,8-9,13H2,1-4H3,(H2,27,28,29,31,32,34)/t20-/m0/s1.
What are the key properties of N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 483.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]amino]-5-[6-[(2S)-4-methylmorpholin-2-yl]-2-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 170730433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).