[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone

C25H31N5O2 — CID 67442661

IUPAC[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(OCC2CC2)c(C(=O)N2CCCC[C@H]2Cc2cn3cnc(C)c(C)c3n2)n1
InChIInChI=1S/C25H31N5O2/c1-16-7-10-22(32-14-19-8-9-19)23(27-16)25(31)30-11-5-4-6-21(30)12-20-13-29-15-26-18(3)17(2)24(29)28-20/h7,10,13,15,19,21H,4-6,8-9,11-12,14H2,1-3H3/t21-/m0/s1
InChIKeyXKNAGLPJBDMUEX-NRFANRHFSA-N
MW433.56 g/mol
LogP4.08
Rot. Bonds6

About [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone

[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 67442661) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID67442661
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1ccc(OCC2CC2)c(C(=O)N2CCCC[C@H]2Cc2cn3cnc(C)c(C)c3n2)n1
InChIInChI=1S/C25H31N5O2/c1-16-7-10-22(32-14-19-8-9-19)23(27-16)25(31)30-11-5-4-6-21(30)12-20-13-29-15-26-18(3)17(2)24(29)28-20/h7,10,13,15,19,21H,4-6,8-9,11-12,14H2,1-3H3/t21-/m0/s1
InChIKeyXKNAGLPJBDMUEX-NRFANRHFSA-N
XLogP4.08
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone (CID 67442661) is [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone is Cc1ccc(OCC2CC2)c(C(=O)N2CCCC[C@H]2Cc2cn3cnc(C)c(C)c3n2)n1.
What is the InChIKey of [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is XKNAGLPJBDMUEX-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-16-7-10-22(32-14-19-8-9-19)23(27-16)25(31)30-11-5-4-6-21(30)12-20-13-29-15-26-18(3)17(2)24(29)28-20/h7,10,13,15,19,21H,4-6,8-9,11-12,14H2,1-3H3/t21-/m0/s1.
What are the key properties of [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone?
[3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 433.56 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)-6-methyl-2-pyridinyl]-[(2S)-2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 67442661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).