N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C20H21N5O3 — CID 10177739

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCOc1ccc2[nH]cc(-c3cc4c(C(=O)NC(C)(C)CO)ncnc4[nH]3)c2c1
InChIInChI=1S/C20H21N5O3/c1-20(2,9-26)25-19(27)17-13-7-16(24-18(13)23-10-22-17)14-8-21-15-5-4-11(28-3)6-12(14)15/h4-8,10,21,26H,9H2,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyXKYXXXDOQKNNBE-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.62
Rot. Bonds5

About N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 10177739) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID10177739
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCOc1ccc2[nH]cc(-c3cc4c(C(=O)NC(C)(C)CO)ncnc4[nH]3)c2c1
InChIInChI=1S/C20H21N5O3/c1-20(2,9-26)25-19(27)17-13-7-16(24-18(13)23-10-22-17)14-8-21-15-5-4-11(28-3)6-12(14)15/h4-8,10,21,26H,9H2,1-3H3,(H,25,27)(H,22,23,24)
InChIKeyXKYXXXDOQKNNBE-UHFFFAOYSA-N
XLogP2.62
TPSA115.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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2-((2-((1-(2-(Dimethylamino)acetyl)-5-methoxyindolin-6-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-6-fluoro-N-methylbenzamide
CID 25182616
2-[(2-{[1-(N,N-dimethylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluorobenzamide
CID 25211575
2-fluoro-6-{[2-({5-methoxy-1-[2-(pyrrolidin-1-yl)acetyl]-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
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2-{[2-({1-[2-(azetidin-1-yl)acetyl]-5-methoxy-2,3-dihydro-1H-indol-6-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-6-fluorobenzamide
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1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-2-(2-methylpropyl)-1H-1,3-benzodiazole
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2-fluoro-6-[(2-{[1-glycyl-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218575
2-fluoro-6-[(2-{[1-(N-methylglycyl)-5-(methyloxy)-2,3-dihydro-1H-indol-6-yl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218576

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 10177739) is N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is COc1ccc2[nH]cc(-c3cc4c(C(=O)NC(C)(C)CO)ncnc4[nH]3)c2c1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is XKYXXXDOQKNNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-20(2,9-26)25-19(27)17-13-7-16(24-18(13)23-10-22-17)14-8-21-15-5-4-11(28-3)6-12(14)15/h4-8,10,21,26H,9H2,1-3H3,(H,25,27)(H,22,23,24).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1H-indol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 10177739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).