cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone

C27H37N5O — CID 92622488

IUPACcyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCc1nc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nc2c1CCCN2CCc1ccccn1
InChIInChI=1S/C27H37N5O/c1-20-24-13-8-16-31(18-14-23-12-5-6-15-28-23)26(24)30-25(29-20)22-11-7-17-32(19-22)27(33)21-9-3-2-4-10-21/h5-6,12,15,21-22H,2-4,7-11,13-14,16-19H2,1H3/t22-/m1/s1
InChIKeyHNGMKSDAQYXFBT-JOCHJYFZSA-N
MW447.63 g/mol
LogP4.46
Rot. Bonds5

About cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone

cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 92622488) has the molecular formula C27H37N5O and a molecular weight of 447.63 g/mol. Its IUPAC name is cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID92622488
Molecular FormulaC27H37N5O
Molecular Weight447.63 g/mol
Exact Mass447.30
IUPAC Namecyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCc1nc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nc2c1CCCN2CCc1ccccn1
InChIInChI=1S/C27H37N5O/c1-20-24-13-8-16-31(18-14-23-12-5-6-15-28-23)26(24)30-25(29-20)22-11-7-17-32(19-22)27(33)21-9-3-2-4-10-21/h5-6,12,15,21-22H,2-4,7-11,13-14,16-19H2,1H3/t22-/m1/s1
InChIKeyHNGMKSDAQYXFBT-JOCHJYFZSA-N
XLogP4.46
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclobutyl-[(3S)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92622846
cyclobutyl-[3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 110268619
2-methoxy-1-[(3S)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92622452
(3R)-N,N-dimethyl-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
CID 92622379
4-methyl-8-(2-pyridin-2-ylethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
CID 92636287
1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110263455
1-[2-[3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110263373
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92636192
[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110263466
[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110268592
(4R)-1-methyl-4-[4-[4-methyl-8-(pyridin-2-ylmethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92621672
N,N-dimethyl-2-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidine-1-sulfonamide
CID 110263229

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 92622488) is cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone is Cc1nc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nc2c1CCCN2CCc1ccccn1.
What is the InChIKey of cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is HNGMKSDAQYXFBT-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H37N5O/c1-20-24-13-8-16-31(18-14-23-12-5-6-15-28-23)26(24)30-25(29-20)22-11-7-17-32(19-22)27(33)21-9-3-2-4-10-21/h5-6,12,15,21-22H,2-4,7-11,13-14,16-19H2,1H3/t22-/m1/s1.
What are the key properties of cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone?
cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 447.63 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R)-3-[4-methyl-8-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92622488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).