[(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C25H34N6O — CID 95833724

IUPAC[(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(CC2CCCCC2)CCC3)cn1
InChIInChI=1S/C25H34N6O/c1-17-14-27-21(15-26-17)25(32)31-13-7-11-22(31)23-28-18(2)20-10-6-12-30(24(20)29-23)16-19-8-4-3-5-9-19/h14-15,19,22H,3-13,16H2,1-2H3/t22-/m1/s1
InChIKeyJCCOVXCMWKVHST-JOCHJYFZSA-N
MW434.59 g/mol
LogP4.19
Rot. Bonds4

About [(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 95833724) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is [(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID95833724
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name[(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(CC2CCCCC2)CCC3)cn1
InChIInChI=1S/C25H34N6O/c1-17-14-27-21(15-26-17)25(32)31-13-7-11-22(31)23-28-18(2)20-10-6-12-30(24(20)29-23)16-19-8-4-3-5-9-19/h14-15,19,22H,3-13,16H2,1-2H3/t22-/m1/s1
InChIKeyJCCOVXCMWKVHST-JOCHJYFZSA-N
XLogP4.19
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 95833724) is [(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(CC2CCCCC2)CCC3)cn1.
What is the InChIKey of [(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is JCCOVXCMWKVHST-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H34N6O/c1-17-14-27-21(15-26-17)25(32)31-13-7-11-22(31)23-28-18(2)20-10-6-12-30(24(20)29-23)16-19-8-4-3-5-9-19/h14-15,19,22H,3-13,16H2,1-2H3/t22-/m1/s1.
What are the key properties of [(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 434.59 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[8-(cyclohexylmethyl)-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 95833724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).