5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole

C19H22N6S — CID 167233261

IUPAC5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole
SMILESCc1cnsc1-c1nc(N2CCC3(CCNC3)CC2)c2ccncc2n1
InChIInChI=1S/C19H22N6S/c1-13-10-22-26-16(13)17-23-15-11-20-6-2-14(15)18(24-17)25-8-4-19(5-9-25)3-7-21-12-19/h2,6,10-11,21H,3-5,7-9,12H2,1H3
InChIKeyFMIFDMRATKUCTL-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.04
Rot. Bonds2

About 5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole

5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole (PubChem CID 167233261) has the molecular formula C19H22N6S and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole.

Molecular Properties

Compound Name5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole
PubChem CID167233261
Molecular FormulaC19H22N6S
Molecular Weight366.49 g/mol
Exact Mass366.16
IUPAC Name5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole
SMILESCc1cnsc1-c1nc(N2CCC3(CCNC3)CC2)c2ccncc2n1
InChIInChI=1S/C19H22N6S/c1-13-10-22-26-16(13)17-23-15-11-20-6-2-14(15)18(24-17)25-8-4-19(5-9-25)3-7-21-12-19/h2,6,10-11,21H,3-5,7-9,12H2,1H3
InChIKeyFMIFDMRATKUCTL-UHFFFAOYSA-N
XLogP3.04
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidine;hexahydrochloride
CID 170698655
4-(2,8-diazaspiro[4.5]decan-8-yl)-7-oxido-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-7-ium
CID 170698623
N-[[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-6-yl]methyl]propanamide
CID 167232970
N-methylsulfanyl-1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-3-yl]methanamine
CID 167233321
4-[4-(2,8-diazaspiro[4.5]decan-8-yl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]-2-methylbut-3-yn-2-ol
CID 167233262
1-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propan-2-ol
CID 167233200
trans-(1S,2S)-2-[8-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-ol
CID 167233367
trans-(1R,2R)-2-[8-[2-(5-methyl-1H-pyrazol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-ol
CID 167233318
3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanenitrile
CID 167233113
2-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]cyclobutan-1-one
CID 167233174
3-[8-(2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]propanal
CID 175988940
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole?
The IUPAC name of 5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole (CID 167233261) is 5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole.
What is the SMILES notation for 5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole?
The canonical SMILES for 5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole is Cc1cnsc1-c1nc(N2CCC3(CCNC3)CC2)c2ccncc2n1.
What is the InChIKey of 5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole?
The InChIKey is FMIFDMRATKUCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6S/c1-13-10-22-26-16(13)17-23-15-11-20-6-2-14(15)18(24-17)25-8-4-19(5-9-25)3-7-21-12-19/h2,6,10-11,21H,3-5,7-9,12H2,1H3.
What are the key properties of 5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole?
5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole has a molecular weight of 366.49 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,8-diazaspiro[4.5]decan-8-yl)pyrido[3,4-d]pyrimidin-2-yl]-4-methyl-1,2-thiazole is sourced from PubChem (CID 167233261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).