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

C26H32N6 — CID 92636287

IUPAC4-methyl-8-(2-pyridin-2-ylethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1nc([C@@H]2CCCN(Cc3ccncc3)C2)nc2c1CCCN2CCc1ccccn1
InChIInChI=1S/C26H32N6/c1-20-24-8-5-16-32(17-11-23-7-2-3-12-28-23)26(24)30-25(29-20)22-6-4-15-31(19-22)18-21-9-13-27-14-10-21/h2-3,7,9-10,12-14,22H,4-6,8,11,15-19H2,1H3/t22-/m1/s1
InChIKeySJMOVSWEDYBAOV-JOCHJYFZSA-N
MW428.58 g/mol
LogP3.95
Rot. Bonds6

About 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

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 (PubChem CID 92636287) has the molecular formula C26H32N6 and a molecular weight of 428.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-methyl-8-(2-pyridin-2-ylethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
PubChem CID92636287
Molecular FormulaC26H32N6
Molecular Weight428.58 g/mol
Exact Mass428.27
IUPAC Name4-methyl-8-(2-pyridin-2-ylethyl)-2-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine
SMILESCc1nc([C@@H]2CCCN(Cc3ccncc3)C2)nc2c1CCCN2CCc1ccccn1
InChIInChI=1S/C26H32N6/c1-20-24-8-5-16-32(17-11-23-7-2-3-12-28-23)26(24)30-25(29-20)22-6-4-15-31(19-22)18-21-9-13-27-14-10-21/h2-3,7,9-10,12-14,22H,4-6,8,11,15-19H2,1H3/t22-/m1/s1
InChIKeySJMOVSWEDYBAOV-JOCHJYFZSA-N
XLogP3.95
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc([C@@H]2CCCN(Cc3ccncc3)C2)nc2c1CCCN2CCc1ccccn1.
What is the InChIKey of 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?
The InChIKey is SJMOVSWEDYBAOV-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32N6/c1-20-24-8-5-16-32(17-11-23-7-2-3-12-28-23)26(24)30-25(29-20)22-6-4-15-31(19-22)18-21-9-13-27-14-10-21/h2-3,7,9-10,12-14,22H,4-6,8,11,15-19H2,1H3/t22-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 428.58 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92636287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).