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

C24H26N6O4S — CID 158668814

IUPAC5-[[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
SMILESCn1cc(-n2ccc3nc(Cc4cc(C(=O)N[C@@H]5CCOC5)cs4)nc(O[C@H]4CCOC4)c32)cn1
InChIInChI=1S/C24H26N6O4S/c1-29-11-17(10-25-29)30-5-2-20-22(30)24(34-18-4-7-33-13-18)28-21(27-20)9-19-8-15(14-35-19)23(31)26-16-3-6-32-12-16/h2,5,8,10-11,14,16,18H,3-4,6-7,9,12-13H2,1H3,(H,26,31)/t16-,18+/m1/s1
InChIKeySPYPQHJLVNBSNU-AEFFLSMTSA-N
MW494.58 g/mol
LogP2.49
Rot. Bonds7

About 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

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 (PubChem CID 158668814) has the molecular formula C24H26N6O4S and a molecular weight of 494.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[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
PubChem CID158668814
Molecular FormulaC24H26N6O4S
Molecular Weight494.58 g/mol
Exact Mass494.17
IUPAC Name5-[[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
SMILESCn1cc(-n2ccc3nc(Cc4cc(C(=O)N[C@@H]5CCOC5)cs4)nc(O[C@H]4CCOC4)c32)cn1
InChIInChI=1S/C24H26N6O4S/c1-29-11-17(10-25-29)30-5-2-20-22(30)24(34-18-4-7-33-13-18)28-21(27-20)9-19-8-15(14-35-19)23(31)26-16-3-6-32-12-16/h2,5,8,10-11,14,16,18H,3-4,6-7,9,12-13H2,1H3,(H,26,31)/t16-,18+/m1/s1
InChIKeySPYPQHJLVNBSNU-AEFFLSMTSA-N
XLogP2.49
TPSA105.32 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidine
CID 159454780
N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
CID 145257094
[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
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine
CID 135129166
3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine
CID 135129317
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
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-(1-phenylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 135129208
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-(2-methoxyethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-3-methyl-1,2-thiazole
CID 161357515
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(-n2ccc3nc(Cc4cc(C(=O)N[C@@H]5CCOC5)cs4)nc(O[C@H]4CCOC4)c32)cn1.
What is the InChIKey of 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?
The InChIKey is SPYPQHJLVNBSNU-AEFFLSMTSA-N. The full InChI is InChI=1S/C24H26N6O4S/c1-29-11-17(10-25-29)30-5-2-20-22(30)24(34-18-4-7-33-13-18)28-21(27-20)9-19-8-15(14-35-19)23(31)26-16-3-6-32-12-16/h2,5,8,10-11,14,16,18H,3-4,6-7,9,12-13H2,1H3,(H,26,31)/t16-,18+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 494.58 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158668814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).