[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone

C21H27N5O — CID 166311344

IUPAC[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone
SMILESCC(C)c1nccc(C2CCN(C(=O)c3cnc4c(c3)CCCN4)CC2)n1
InChIInChI=1S/C21H27N5O/c1-14(2)19-23-9-5-18(25-19)15-6-10-26(11-7-15)21(27)17-12-16-4-3-8-22-20(16)24-13-17/h5,9,12-15H,3-4,6-8,10-11H2,1-2H3,(H,22,24)
InChIKeyZXDKHVXZHSCMII-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.37
Rot. Bonds3

About [4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone

[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone (PubChem CID 166311344) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone
PubChem CID166311344
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone
SMILESCC(C)c1nccc(C2CCN(C(=O)c3cnc4c(c3)CCCN4)CC2)n1
InChIInChI=1S/C21H27N5O/c1-14(2)19-23-9-5-18(25-19)15-6-10-26(11-7-15)21(27)17-12-16-4-3-8-22-20(16)24-13-17/h5,9,12-15H,3-4,6-8,10-11H2,1-2H3,(H,22,24)
InChIKeyZXDKHVXZHSCMII-UHFFFAOYSA-N
XLogP3.37
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
BPKDi
CID 46901383
4-((4-Methyl-1-piperazinyl)methyl)-N-(3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)-benzamide
CID 4369496
Dalpiciclib
CID 86279927
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
VX-984
CID 72188357
Dipyridodiazepinone deriv. 8
CID 463137
2-Ethyl-9-methyl-13-[2-(pyrimidin-5-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470732
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
N-[3-(4-Pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-nicotinamide
CID 9947433
2-{2-[(cyclohexylmethyl)amino]pyrimidin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11347930
4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide
CID 11511524

Frequently Asked Questions

What is the IUPAC name of [4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone?
The IUPAC name of [4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone (CID 166311344) is [4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone.
What is the SMILES notation for [4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone?
The canonical SMILES for [4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone is CC(C)c1nccc(C2CCN(C(=O)c3cnc4c(c3)CCCN4)CC2)n1.
What is the InChIKey of [4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone?
The InChIKey is ZXDKHVXZHSCMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(2)19-23-9-5-18(25-19)15-6-10-26(11-7-15)21(27)17-12-16-4-3-8-22-20(16)24-13-17/h5,9,12-15H,3-4,6-8,10-11H2,1-2H3,(H,22,24).
What are the key properties of [4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone?
[4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone has a molecular weight of 365.48 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propan-2-ylpyrimidin-4-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)methanone is sourced from PubChem (CID 166311344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).