4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole

C22H26N6OS — CID 142340777

IUPAC4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCOC1CCN(c2cc(C)cc(N3CCc4nc(-c5cscn5)ncc4C3C)n2)C1
InChIInChI=1S/C22H26N6OS/c1-14-8-20(27-6-4-16(11-27)29-3)26-21(9-14)28-7-5-18-17(15(28)2)10-23-22(25-18)19-12-30-13-24-19/h8-10,12-13,15-16H,4-7,11H2,1-3H3
InChIKeyPNKPZMMISCJNOU-UHFFFAOYSA-N
MW422.56 g/mol
LogP3.65
Rot. Bonds4

About 4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole

4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 142340777) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID142340777
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCOC1CCN(c2cc(C)cc(N3CCc4nc(-c5cscn5)ncc4C3C)n2)C1
InChIInChI=1S/C22H26N6OS/c1-14-8-20(27-6-4-16(11-27)29-3)26-21(9-14)28-7-5-18-17(15(28)2)10-23-22(25-18)19-12-30-13-24-19/h8-10,12-13,15-16H,4-7,11H2,1-3H3
InChIKeyPNKPZMMISCJNOU-UHFFFAOYSA-N
XLogP3.65
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole with MolForge

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Related Compounds

4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 126534280
N-cyclopentyl-4-methyl-5-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126535109
4-[4-(4,5-Dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]morpholine
CID 44522308
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine;hydrochloride
CID 137355933
2-[[3-[5-Methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-4-phenyl-1,3-thiazole
CID 45166133
N-benzyl-2-methoxy-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 45833594
7-benzyl-N-methyl-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 70695779
2-[6-Methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]-1,3-thiazole
CID 92553711
(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyridin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-amine
CID 97950031
N-ethyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 118741408
2-{4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1-piperazinyl}-4-(3-pyridinyl)pyrimidine
CID 72874008
4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-2-phenyl-1,3-thiazole
CID 53590473

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 142340777) is 4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is COC1CCN(c2cc(C)cc(N3CCc4nc(-c5cscn5)ncc4C3C)n2)C1.
What is the InChIKey of 4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is PNKPZMMISCJNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-14-8-20(27-6-4-16(11-27)29-3)26-21(9-14)28-7-5-18-17(15(28)2)10-23-22(25-18)19-12-30-13-24-19/h8-10,12-13,15-16H,4-7,11H2,1-3H3.
What are the key properties of 4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 422.56 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(3-methoxypyrrolidin-1-yl)-4-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 142340777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).