4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine

C18H21N5S — CID 167855469

IUPAC4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CCc3c(nc(C4CC4)n3C)C2)c2ccsc2n1
InChIInChI=1S/C18H21N5S/c1-3-15-20-17(12-7-9-24-18(12)21-15)23-8-6-14-13(10-23)19-16(22(14)2)11-4-5-11/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyASPJVRBGKHHCQY-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.43
Rot. Bonds3

About 4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine

4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine (PubChem CID 167855469) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is 4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine
PubChem CID167855469
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC Name4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine
SMILESCCc1nc(N2CCc3c(nc(C4CC4)n3C)C2)c2ccsc2n1
InChIInChI=1S/C18H21N5S/c1-3-15-20-17(12-7-9-24-18(12)21-15)23-8-6-14-13(10-23)19-16(22(14)2)11-4-5-11/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyASPJVRBGKHHCQY-UHFFFAOYSA-N
XLogP3.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-6-methylpyrazolo[5,4-d]pyrimidine
CID 167916357
2-ethyl-4-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133405300
4-(2,3-dimethylpyrrolidin-1-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403862
4-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]morpholine
CID 133403396
1-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 133423681
5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 133403957
4-(1,3,3a,4,6,7,8,9,9a,9b-decahydropyrrolo[3,4-a]indolizin-2-yl)-2-ethylthieno[2,3-d]pyrimidine
CID 133403125
2-ethyl-4-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403291
2-ethyl-4-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133403917
methyl 2-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133423645
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404145
4-[4-(4-ethoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-ethylthieno[2,3-d]pyrimidine
CID 133404794

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine (CID 167855469) is 4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine is CCc1nc(N2CCc3c(nc(C4CC4)n3C)C2)c2ccsc2n1.
What is the InChIKey of 4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine?
The InChIKey is ASPJVRBGKHHCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-3-15-20-17(12-7-9-24-18(12)21-15)23-8-6-14-13(10-23)19-16(22(14)2)11-4-5-11/h7,9,11H,3-6,8,10H2,1-2H3.
What are the key properties of 4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine?
4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine has a molecular weight of 339.47 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-ethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 167855469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).