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

C24H27N5O2S — CID 171654946

IUPACN-(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
SMILESCc1cccc(C(C)Nc2cnc3n(c2=O)C(C(=O)NCc2cc4c(s2)CNC4)CC3)c1
InChIInChI=1S/C24H27N5O2S/c1-14-4-3-5-16(8-14)15(2)28-19-12-26-22-7-6-20(29(22)24(19)31)23(30)27-11-18-9-17-10-25-13-21(17)32-18/h3-5,8-9,12,15,20,25,28H,6-7,10-11,13H2,1-2H3,(H,27,30)
InChIKeyRORFFPRXVKTKOD-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.19
Rot. Bonds6

About 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

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 (PubChem CID 171654946) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID171654946
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-(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
SMILESCc1cccc(C(C)Nc2cnc3n(c2=O)C(C(=O)NCc2cc4c(s2)CNC4)CC3)c1
InChIInChI=1S/C24H27N5O2S/c1-14-4-3-5-16(8-14)15(2)28-19-12-26-22-7-6-20(29(22)24(19)31)23(30)27-11-18-9-17-10-25-13-21(17)32-18/h3-5,8-9,12,15,20,25,28H,6-7,10-11,13H2,1-2H3,(H,27,30)
InChIKeyRORFFPRXVKTKOD-UHFFFAOYSA-N
XLogP3.19
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

(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
(6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178137966
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
N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-[1-(5-phenylthiophen-2-yl)ethylamino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178137825
(6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-3-[[(1R)-1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178138147
benzene;3-(cyclopropylmethylamino)-4-oxo-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178137749
4-oxo-3-(3-phenylpropylamino)-N-[(7-propylthieno[3,2-c]pyridin-2-yl)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178137738
(6S)-4-oxo-3-(3-phenylpropylamino)-N-(thieno[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178138265
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-aminothieno[3,2-c]pyridin-2-yl)methyl]-3-[3-[(Z)-1-(2-fluorophenyl)pent-1-enyl]sulfanylbut-3-en-2-ylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178137640
(6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-3-[3-(4-tert-butylphenyl)propylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178139056
3-[(3,5-dimethylphenyl)methylamino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171758135

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(C(C)Nc2cnc3n(c2=O)C(C(=O)NCc2cc4c(s2)CNC4)CC3)c1.
What is the InChIKey of 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?
The InChIKey is RORFFPRXVKTKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-14-4-3-5-16(8-14)15(2)28-19-12-26-22-7-6-20(29(22)24(19)31)23(30)27-11-18-9-17-10-25-13-21(17)32-18/h3-5,8-9,12,15,20,25,28H,6-7,10-11,13H2,1-2H3,(H,27,30).
What are the key properties of 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?
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 has a molecular weight of 449.58 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171654946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).