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

C21H23N5O3 — CID 10135183

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCOc1ccc2c(c1)c(-c1cc3c(C(=O)NC(C)(C)CO)ncnc3[nH]1)cn2C
InChIInChI=1S/C21H23N5O3/c1-21(2,10-27)25-20(28)18-14-8-16(24-19(14)23-11-22-18)15-9-26(3)17-6-5-12(29-4)7-13(15)17/h5-9,11,27H,10H2,1-4H3,(H,25,28)(H,22,23,24)
InChIKeyGDZMQXZOSOVJLP-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.63
Rot. Bonds5

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

N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 10135183) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID10135183
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESCOc1ccc2c(c1)c(-c1cc3c(C(=O)NC(C)(C)CO)ncnc3[nH]1)cn2C
InChIInChI=1S/C21H23N5O3/c1-21(2,10-27)25-20(28)18-14-8-16(24-19(14)23-11-22-18)15-9-26(3)17-6-5-12(29-4)7-13(15)17/h5-9,11,27H,10H2,1-4H3,(H,25,28)(H,22,23,24)
InChIKeyGDZMQXZOSOVJLP-UHFFFAOYSA-N
XLogP2.63
TPSA105.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 10135183) is N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-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-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is COc1ccc2c(c1)c(-c1cc3c(C(=O)NC(C)(C)CO)ncnc3[nH]1)cn2C.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is GDZMQXZOSOVJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-21(2,10-27)25-20(28)18-14-8-16(24-19(14)23-11-22-18)15-9-26(3)17-6-5-12(29-4)7-13(15)17/h5-9,11,27H,10H2,1-4H3,(H,25,28)(H,22,23,24).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 10135183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).