3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

C27H31N5O2S — CID 176974031

IUPAC3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESO=C(NCc1cc2c(s1)CNC2)C1CCc2cnc(NC(c3ccccc3)C3CCCC3)c(=O)n21
InChIInChI=1S/C27H31N5O2S/c33-26(30-15-21-12-19-13-28-16-23(19)35-21)22-11-10-20-14-29-25(27(34)32(20)22)31-24(18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,12,14,18,22,24,28H,4-5,8-11,13,15-16H2,(H,29,31)(H,30,33)
InChIKeySZOWHYHBZZCZKY-UHFFFAOYSA-N
MW489.65 g/mol
LogP4.06
Rot. Bonds7

About 3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 176974031) has the molecular formula C27H31N5O2S and a molecular weight of 489.65 g/mol. Its IUPAC name is 3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID176974031
Molecular FormulaC27H31N5O2S
Molecular Weight489.65 g/mol
Exact Mass489.22
IUPAC Name3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESO=C(NCc1cc2c(s1)CNC2)C1CCc2cnc(NC(c3ccccc3)C3CCCC3)c(=O)n21
InChIInChI=1S/C27H31N5O2S/c33-26(30-15-21-12-19-13-28-16-23(19)35-21)22-11-10-20-14-29-25(27(34)32(20)22)31-24(18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,12,14,18,22,24,28H,4-5,8-11,13,15-16H2,(H,29,31)(H,30,33)
InChIKeySZOWHYHBZZCZKY-UHFFFAOYSA-N
XLogP4.06
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.65
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-3-[1-(3-methylphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171654946
3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane
CID 176974163
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(1-phenylethylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 91588906
(6S)-4-oxo-3-(3-phenylpropylamino)-N-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178137651
tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene
CID 176973989
tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;butylbenzene
CID 176973940
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-fluorophenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
CID 20678769
(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-4-oxo-3-(2-phenylethylamino)-7,8,9,10-tetrahydro-6H-pyrazino[1,2-a]azepine-6-carboxamide;dihydrochloride
CID 70250292
(6S)-N-[(6-amino-3-pyridinyl)methyl]-3-[(3,5-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 177114870
2-[2-[[(R)-cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 39594509
(6R)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-3-[2,2-bis(4-methoxyphenyl)ethylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;dihydrochloride
CID 20678713
N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 52501297

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 176974031) is 3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is O=C(NCc1cc2c(s1)CNC2)C1CCc2cnc(NC(c3ccccc3)C3CCCC3)c(=O)n21.
What is the InChIKey of 3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is SZOWHYHBZZCZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2S/c33-26(30-15-21-12-19-13-28-16-23(19)35-21)22-11-10-20-14-29-25(27(34)32(20)22)31-24(18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,12,14,18,22,24,28H,4-5,8-11,13,15-16H2,(H,29,31)(H,30,33).
What are the key properties of 3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 489.65 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopentyl(phenyl)methyl]amino]-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 176974031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).