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

C27H37N5O2 — CID 42855571

IUPAC[2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCc2nc(N(C)C3CCCCC3)nc(N3CCCCC3)c2C1
InChIInChI=1S/C27H37N5O2/c1-30(20-11-5-3-6-12-20)27-28-23-15-18-32(26(33)21-13-7-8-14-24(21)34-2)19-22(23)25(29-27)31-16-9-4-10-17-31/h7-8,13-14,20H,3-6,9-12,15-19H2,1-2H3
InChIKeyVECSEQUYURJOAN-UHFFFAOYSA-N
MW463.63 g/mol
LogP4.44
Rot. Bonds5

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

[2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone (PubChem CID 42855571) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
PubChem CID42855571
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC Name[2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCc2nc(N(C)C3CCCCC3)nc(N3CCCCC3)c2C1
InChIInChI=1S/C27H37N5O2/c1-30(20-11-5-3-6-12-20)27-28-23-15-18-32(26(33)21-13-7-8-14-24(21)34-2)19-22(23)25(29-27)31-16-9-4-10-17-31/h7-8,13-14,20H,3-6,9-12,15-19H2,1-2H3
InChIKeyVECSEQUYURJOAN-UHFFFAOYSA-N
XLogP4.44
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2-methoxyphenyl)-[2-(4-methylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855555
(2-methoxyphenyl)-(4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42787779
(2,4-dimethoxyphenyl)-(2-methyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 5201360
(2-chlorophenyl)-[4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855695
[4-(dimethylamino)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 46050696
(2-chlorophenyl)-(2-piperidin-1-yl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42855739
[2-cyclopropyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 134788830
[4-(3-methoxyphenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 46073555
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[2-[benzyl(methyl)amino]-4-(3-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone
CID 46073681
6-(2-methoxybenzoyl)-2-(4-methylphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135444035
(3-methoxyphenyl)-[2-(4-methylpiperidin-1-yl)-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855482

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone (CID 42855571) is [2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCc2nc(N(C)C3CCCCC3)nc(N3CCCCC3)c2C1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone?
The InChIKey is VECSEQUYURJOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-30(20-11-5-3-6-12-20)27-28-23-15-18-32(26(33)21-13-7-8-14-24(21)34-2)19-22(23)25(29-27)31-16-9-4-10-17-31/h7-8,13-14,20H,3-6,9-12,15-19H2,1-2H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone?
[2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone has a molecular weight of 463.63 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 42855571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).