3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C22H26N6O2 — CID 66958759

IUPAC3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCNCC4)cc3)nc(N[C@@H]3CCOC3)c2c1=O
InChIInChI=1S/C22H26N6O2/c1-27-14-24-19-12-18(15-2-4-17(5-3-15)28-9-7-23-8-10-28)26-21(20(19)22(27)29)25-16-6-11-30-13-16/h2-5,12,14,16,23H,6-11,13H2,1H3,(H,25,26)/t16-/m1/s1
InChIKeyGCZJWHZRUXGPQZ-MRXNPFEDSA-N
MW406.49 g/mol
LogP1.61
Rot. Bonds4

About 3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958759) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958759
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCNCC4)cc3)nc(N[C@@H]3CCOC3)c2c1=O
InChIInChI=1S/C22H26N6O2/c1-27-14-24-19-12-18(15-2-4-17(5-3-15)28-9-7-23-8-10-28)26-21(20(19)22(27)29)25-16-6-11-30-13-16/h2-5,12,14,16,23H,6-11,13H2,1H3,(H,25,26)/t16-/m1/s1
InChIKeyGCZJWHZRUXGPQZ-MRXNPFEDSA-N
XLogP1.61
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
6-(4-Acryloyl-piperazin-1-yl)-2-[4-(2-pyrrolidin-1-yl-ethyl)-phenylamino]-nicotinamide
CID 118038376
4-[4-(morpholine-4-carbonyl)anilino]-2-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 118043323
2-(2,6-Difluorophenyl)-4-[(5-morpholin-4-yl-2-pyridinyl)amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341329
2-(2,6-Difluorophenyl)-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 118341389
2-[4-(tert-butylcarbamoyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 137349435
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 72697151
5-Benzyl-1-methyl-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
CID 137658266
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 145981275
2-(2-Morpholin-4-yl-ethylamino)-5H-benzo[c][1,5]naphthyridin-6-one
CID 10871043
1-[4-(7-benzoyl-4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-ethylurea
CID 59239089

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66958759) is 3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCNCC4)cc3)nc(N[C@@H]3CCOC3)c2c1=O.
What is the InChIKey of 3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is GCZJWHZRUXGPQZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-27-14-24-19-12-18(15-2-4-17(5-3-15)28-9-7-23-8-10-28)26-21(20(19)22(27)29)25-16-6-11-30-13-16/h2-5,12,14,16,23H,6-11,13H2,1H3,(H,25,26)/t16-/m1/s1.
What are the key properties of 3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 406.49 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[(3R)-oxolan-3-yl]amino]-7-(4-piperazin-1-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).