[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone

C21H19FN8O — CID 53260783

IUPAC[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C21H19FN8O/c22-15-3-4-19-26-10-17(30(19)11-15)20-25-6-5-18(28-20)27-16-2-1-7-29(12-16)21(31)14-8-23-13-24-9-14/h3-6,8-11,13,16H,1-2,7,12H2,(H,25,27,28)/t16-/m1/s1
InChIKeyRXLXHOOVBMBKGC-MRXNPFEDSA-N
MW418.44 g/mol
LogP2.44
Rot. Bonds4

About [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone

[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 53260783) has the molecular formula C21H19FN8O and a molecular weight of 418.44 g/mol. Its IUPAC name is [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID53260783
Molecular FormulaC21H19FN8O
Molecular Weight418.44 g/mol
Exact Mass418.17
IUPAC Name[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESO=C(c1cncnc1)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1
InChIInChI=1S/C21H19FN8O/c22-15-3-4-19-26-10-17(30(19)11-15)20-25-6-5-18(28-20)27-16-2-1-7-29(12-16)21(31)14-8-23-13-24-9-14/h3-6,8-11,13,16H,1-2,7,12H2,(H,25,27,28)/t16-/m1/s1
InChIKeyRXLXHOOVBMBKGC-MRXNPFEDSA-N
XLogP2.44
TPSA101.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Ribociclib
CID 44631912
Trilaciclib
CID 68029831
Lerociclib
CID 86269224
2-(4-((4-imidazo(1,2-a)pyridin-3-ylpyrimidin-2-yl)amino)piperidin-1-yl)-N-methylacetamide
CID 24801863
2,2-Dimethyl-3-[(4-{[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]amino}pyrimidin-2-Yl)amino]propanamide
CID 76280903
2-(8-Fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89740936
7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70116605
Spiro[cyclohexane-1,9'(6'H)-pyrazino[1',2':1,5]pyrrolo[2,3-d]pyrimidin]-6'-one, 7',8'-dihydro-2'-[[5-(1-piperazinyl)-2-pyridinyl]amino]-
CID 89798202
N-(3-fluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137900
N-(2,5-difluorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 44137901
1-(azetidin-1-yl)-2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanone
CID 44431993
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 44431994

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone (CID 53260783) is [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone is O=C(c1cncnc1)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccc(F)cn34)n2)C1.
What is the InChIKey of [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is RXLXHOOVBMBKGC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H19FN8O/c22-15-3-4-19-26-10-17(30(19)11-15)20-25-6-5-18(28-20)27-16-2-1-7-29(12-16)21(31)14-8-23-13-24-9-14/h3-6,8-11,13,16H,1-2,7,12H2,(H,25,27,28)/t16-/m1/s1.
What are the key properties of [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone?
[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 418.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 53260783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).