N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H26N6O2S — CID 76811977

IUPACN-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(-c3ccc(C(=O)NCc4ccncc4)s3)nc12)C(C)(C)C
InChIInChI=1S/C24H26N6O2S/c1-14(24(2,3)4)29-22(31)16-12-26-21-20(16)30-17(13-27-21)18-5-6-19(33-18)23(32)28-11-15-7-9-25-10-8-15/h5-10,12-14H,11H2,1-4H3,(H,26,27)(H,28,32)(H,29,31)
InChIKeyCNNYOSIROFJEFF-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.18
Rot. Bonds6

About N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 76811977) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID76811977
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(-c3ccc(C(=O)NCc4ccncc4)s3)nc12)C(C)(C)C
InChIInChI=1S/C24H26N6O2S/c1-14(24(2,3)4)29-22(31)16-12-26-21-20(16)30-17(13-27-21)18-5-6-19(33-18)23(32)28-11-15-7-9-25-10-8-15/h5-10,12-14H,11H2,1-4H3,(H,26,27)(H,28,32)(H,29,31)
InChIKeyCNNYOSIROFJEFF-UHFFFAOYSA-N
XLogP4.18
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-3,3-dimethylbutan-2-yl]-2-[5-(methoxymethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 140571169
N-[(2S)-3,3-dimethylbutan-2-yl]-2-[5-(prop-2-ynylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522186
N-[(2S)-3,3-dimethylbutan-2-yl]-2-[5-[(2-methoxyphenyl)methylcarbamoyl]thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522123
N-[(2S)-3,3-dimethylbutan-2-yl]-2-[5-(1-pyridin-3-ylethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522313
N-(3,3-dimethylbutan-2-yl)-2-[5-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 76811934
2-[5-[2-(1-adamantyl)acetyl]thiophen-2-yl]-N-[(2S)-3,3-dimethylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522353
N-(3,3-dimethylbutan-2-yl)-2-[5-(morpholine-4-carbonyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 123805523
1-[5-[7-[[(2S)-3,3-dimethylbutan-2-yl]carbamoyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]thiophene-2-carbonyl]piperidine-4-carboxylic acid
CID 58522157
2-[5-(3-carbamoylazetidine-1-carbonyl)thiophen-2-yl]-N-(3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 76811846
2-[5-(4-cyanopiperidine-1-carbonyl)thiophen-2-yl]-N-(3,3-dimethylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 76811877
2-[5-[(2-methylphenyl)methylcarbamoyl]thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 90188513
N-(3,3-dimethylbutan-2-yl)-2-[5-[(5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl)carbamoyl]thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 123936281

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 76811977) is N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(NC(=O)c1c[nH]c2ncc(-c3ccc(C(=O)NCc4ccncc4)s3)nc12)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is CNNYOSIROFJEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-14(24(2,3)4)29-22(31)16-12-26-21-20(16)30-17(13-27-21)18-5-6-19(33-18)23(32)28-11-15-7-9-25-10-8-15/h5-10,12-14H,11H2,1-4H3,(H,26,27)(H,28,32)(H,29,31).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-[5-(pyridin-4-ylmethylcarbamoyl)thiophen-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 76811977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).