8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine

C26H34N6 — CID 92622054

IUPAC8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1nc([C@H]2CCCCN2Cc2cnn(C)c2C)nc2c1CCCN2Cc1ccccc1
InChIInChI=1S/C26H34N6/c1-19-23-12-9-15-32(17-21-10-5-4-6-11-21)26(23)29-25(28-19)24-13-7-8-14-31(24)18-22-16-27-30(3)20(22)2/h4-6,10-11,16,24H,7-9,12-15,17-18H2,1-3H3/t24-/m1/s1
InChIKeyXCJWQCVBMBPFMZ-XMMPIXPASA-N
MW430.60 g/mol
LogP4.51
Rot. Bonds5

About 8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine

8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine (PubChem CID 92622054) has the molecular formula C26H34N6 and a molecular weight of 430.60 g/mol. Its IUPAC name is 8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
PubChem CID92622054
Molecular FormulaC26H34N6
Molecular Weight430.60 g/mol
Exact Mass430.28
IUPAC Name8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1nc([C@H]2CCCCN2Cc2cnn(C)c2C)nc2c1CCCN2Cc1ccccc1
InChIInChI=1S/C26H34N6/c1-19-23-12-9-15-32(17-21-10-5-4-6-11-21)26(23)29-25(28-19)24-13-7-8-14-31(24)18-22-16-27-30(3)20(22)2/h4-6,10-11,16,24H,7-9,12-15,17-18H2,1-3H3/t24-/m1/s1
InChIKeyXCJWQCVBMBPFMZ-XMMPIXPASA-N
XLogP4.51
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine (CID 92622054) is 8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine is Cc1nc([C@H]2CCCCN2Cc2cnn(C)c2C)nc2c1CCCN2Cc1ccccc1.
What is the InChIKey of 8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
The InChIKey is XCJWQCVBMBPFMZ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H34N6/c1-19-23-12-9-15-32(17-21-10-5-4-6-11-21)26(23)29-25(28-19)24-13-7-8-14-31(24)18-22-16-27-30(3)20(22)2/h4-6,10-11,16,24H,7-9,12-15,17-18H2,1-3H3/t24-/m1/s1.
What are the key properties of 8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine?
8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine has a molecular weight of 430.60 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-[(2R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 92622054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).