1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one

C24H30N8O2 — CID 139529326

IUPAC1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
SMILESC[C@@H](O)Cc1cc2cnc(Nc3ccc(N4CCNCC4=O)cn3)nc2c(N2CCCCC2)n1
InChIInChI=1S/C24H30N8O2/c1-16(33)11-18-12-17-13-27-24(30-22(17)23(28-18)31-8-3-2-4-9-31)29-20-6-5-19(14-26-20)32-10-7-25-15-21(32)34/h5-6,12-14,16,25,33H,2-4,7-11,15H2,1H3,(H,26,27,29,30)/t16-/m1/s1
InChIKeyAGKZEQVLUBONAZ-MRXNPFEDSA-N
MW462.56 g/mol
LogP2.01
Rot. Bonds6

About 1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one

1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one (PubChem CID 139529326) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
PubChem CID139529326
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC Name1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
SMILESC[C@@H](O)Cc1cc2cnc(Nc3ccc(N4CCNCC4=O)cn3)nc2c(N2CCCCC2)n1
InChIInChI=1S/C24H30N8O2/c1-16(33)11-18-12-17-13-27-24(30-22(17)23(28-18)31-8-3-2-4-9-31)29-20-6-5-19(14-26-20)32-10-7-25-15-21(32)34/h5-6,12-14,16,25,33H,2-4,7-11,15H2,1H3,(H,26,27,29,30)/t16-/m1/s1
InChIKeyAGKZEQVLUBONAZ-MRXNPFEDSA-N
XLogP2.01
TPSA119.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-[[8-(4,4-difluoropiperidin-1-yl)-6-(1-hydroxyethyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one
CID 139529204
1-[2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol
CID 139529461
4-[6-[[6-(1-hydroxyethyl)-8-pyrrolidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]-1-methyl-1,4-diazepan-5-one
CID 139529520
1-[6-[(1-propan-2-yltriazolo[4,5-h]quinazolin-8-yl)amino]-3-pyridinyl]piperazin-2-one;hydrochloride
CID 163286427
(2S)-1-[2-[[6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-6-yl]propan-2-ol
CID 139529410
1-[[6-[[6-(1-hydroxyethyl)-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]methyl]piperidin-4-ol
CID 139529523
1-[6-(1-hydroxyethyl)-2-[(6-piperazin-1-ylpyridazin-3-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidine-3-carboxylic acid
CID 139529211
(1R)-1-[8-(azepan-1-yl)-2-[[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-pyridinyl]amino]pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 139529510
1-(6-ethyl-3-pyridinyl)piperazin-2-one
CID 139539008
(1R)-1-[2-[[5-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]amino]-8-(propan-2-ylamino)pyrido[3,4-d]pyrimidin-6-yl]ethanol
CID 134586414
1-[6-(aminomethyl)-3-pyridinyl]piperazin-2-one
CID 163672334
1-[3-(2-hydroxypropyl)phenyl]piperazin-2-one
CID 117340740

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one?
The IUPAC name of 1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one (CID 139529326) is 1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one is C[C@@H](O)Cc1cc2cnc(Nc3ccc(N4CCNCC4=O)cn3)nc2c(N2CCCCC2)n1.
What is the InChIKey of 1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one?
The InChIKey is AGKZEQVLUBONAZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-16(33)11-18-12-17-13-27-24(30-22(17)23(28-18)31-8-3-2-4-9-31)29-20-6-5-19(14-26-20)32-10-7-25-15-21(32)34/h5-6,12-14,16,25,33H,2-4,7-11,15H2,1H3,(H,26,27,29,30)/t16-/m1/s1.
What are the key properties of 1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one?
1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one has a molecular weight of 462.56 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[6-[(2R)-2-hydroxypropyl]-8-piperidin-1-ylpyrido[3,4-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 139529326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).