N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide

C23H27N7O2S — CID 158201684

IUPACN-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide
SMILESCCNC(=O)c1csc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1
InChIInChI=1S/C23H27N7O2S/c1-3-24-23(31)15-10-18(33-14-15)11-20-27-19-4-7-30(17-12-25-29(2)13-17)21(19)22(28-20)26-16-5-8-32-9-6-16/h4,7,10,12-14,16H,3,5-6,8-9,11H2,1-2H3,(H,24,31)(H,26,27,28)
InChIKeyGAZZAQDVMRBMPS-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.15
Rot. Bonds7

About N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide

N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide (PubChem CID 158201684) has the molecular formula C23H27N7O2S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide
PubChem CID158201684
Molecular FormulaC23H27N7O2S
Molecular Weight465.58 g/mol
Exact Mass465.19
IUPAC NameN-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide
SMILESCCNC(=O)c1csc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1
InChIInChI=1S/C23H27N7O2S/c1-3-24-23(31)15-10-18(33-14-15)11-20-27-19-4-7-30(17-12-25-29(2)13-17)21(19)22(28-20)26-16-5-8-32-9-6-16/h4,7,10,12-14,16H,3,5-6,8-9,11H2,1-2H3,(H,24,31)(H,26,27,28)
InChIKeyGAZZAQDVMRBMPS-UHFFFAOYSA-N
XLogP3.15
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide with MolForge

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Related Compounds

5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
CID 158668814
N-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 157097057
5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)-4-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 135129117
N-cyclopropyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 135129104
5-[[5-(1-methylpyrazol-4-yl)-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-propylthiophene-3-carboxamide
CID 137285077
5-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-3-methyl-1,2-thiazole
CID 161357515
4-[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]oxythiane 1,1-dioxide
CID 157358482
N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-3H-dithiole-3-carboxamide
CID 154827158
[5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophen-3-yl]-thiomorpholin-4-ylmethanone
CID 135129236
4-N-cyclobutyl-5-(1-methylpyrazol-4-yl)-2-N-(3-methyl-1,2-thiazol-5-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 135129265
[5-[[4-[(4-hydroxy-4-methylcyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]methyl]thiophen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 158089389
2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine
CID 159930355

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide (CID 158201684) is N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide is CCNC(=O)c1csc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.
What is the InChIKey of N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide?
The InChIKey is GAZZAQDVMRBMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2S/c1-3-24-23(31)15-10-18(33-14-15)11-20-27-19-4-7-30(17-12-25-29(2)13-17)21(19)22(28-20)26-16-5-8-32-9-6-16/h4,7,10,12-14,16H,3,5-6,8-9,11H2,1-2H3,(H,24,31)(H,26,27,28).
What are the key properties of N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide?
N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 158201684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).