(6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

C26H23N7O2S — CID 178137945

IUPAC(6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESC[C@@H]1C[C@@H](C(=O)NCc2cc3cnc(N)cc3s2)n2c1ncc(-c1ncc(-c3ccccc3)[nH]1)c2=O
InChIInChI=1S/C26H23N7O2S/c1-14-7-20(25(34)31-11-17-8-16-10-28-22(27)9-21(16)36-17)33-24(14)30-12-18(26(33)35)23-29-13-19(32-23)15-5-3-2-4-6-15/h2-6,8-10,12-14,20H,7,11H2,1H3,(H2,27,28)(H,29,32)(H,31,34)/t14-,20+/m1/s1
InChIKeyCXZZDNFPCVTUFX-VLIAUNLRSA-N
MW497.58 g/mol
LogP3.86
Rot. Bonds5

About (6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

(6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 178137945) has the molecular formula C26H23N7O2S and a molecular weight of 497.58 g/mol. Its IUPAC name is (6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
PubChem CID178137945
Molecular FormulaC26H23N7O2S
Molecular Weight497.58 g/mol
Exact Mass497.16
IUPAC Name(6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESC[C@@H]1C[C@@H](C(=O)NCc2cc3cnc(N)cc3s2)n2c1ncc(-c1ncc(-c3ccccc3)[nH]1)c2=O
InChIInChI=1S/C26H23N7O2S/c1-14-7-20(25(34)31-11-17-8-16-10-28-22(27)9-21(16)36-17)33-24(14)30-12-18(26(33)35)23-29-13-19(32-23)15-5-3-2-4-6-15/h2-6,8-10,12-14,20H,7,11H2,1H3,(H2,27,28)(H,29,32)(H,31,34)/t14-,20+/m1/s1
InChIKeyCXZZDNFPCVTUFX-VLIAUNLRSA-N
XLogP3.86
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(6S,8R)-6-[(6-aminothieno[3,2-c]pyridin-2-yl)methylcarbamoyl]-8-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-3-yl]-5-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 178137916
N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(3-phenylpropylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178138672
N-[(6S,8R)-6-[(6-aminothieno[3,2-c]pyridin-2-yl)methylcarbamoyl]-8-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-3-yl]-4-fluoro-3-phenyl-1,2-oxazole-5-carboxamide
CID 178138946
(6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-3-[[2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]acetyl]amino]-8-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178137832
(6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-3-[[2-(2,2-difluorocyclopropyl)pyrimidine-5-carbonyl]amino]-8-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178138648
(6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-[(5-phenylthiophene-2-carbonyl)amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 178137725
(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
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
N-[(6S,8R)-6-[(6-aminothieno[3,2-c]pyridin-2-yl)methylcarbamoyl]-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-3-yl]-3-(3-methyl-2-pyridinyl)-1,2-oxazole-5-carboxamide
CID 178137889
N-[3-[(6S,8R)-6-[(7-aminothieno[2,3-d]pyridazin-2-yl)methylcarbamoyl]-8-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-3-yl]-2,6-difluorophenyl]-1,2-oxazole-5-carboxamide
CID 178138544
(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
(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

Frequently Asked Questions

What is the IUPAC name of (6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of (6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 178137945) is (6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for (6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is C[C@@H]1C[C@@H](C(=O)NCc2cc3cnc(N)cc3s2)n2c1ncc(-c1ncc(-c3ccccc3)[nH]1)c2=O.
What is the InChIKey of (6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is CXZZDNFPCVTUFX-VLIAUNLRSA-N. The full InChI is InChI=1S/C26H23N7O2S/c1-14-7-20(25(34)31-11-17-8-16-10-28-22(27)9-21(16)36-17)33-24(14)30-12-18(26(33)35)23-29-13-19(32-23)15-5-3-2-4-6-15/h2-6,8-10,12-14,20H,7,11H2,1H3,(H2,27,28)(H,29,32)(H,31,34)/t14-,20+/m1/s1.
What are the key properties of (6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
(6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,8R)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-8-methyl-4-oxo-3-(5-phenyl-1H-imidazol-2-yl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 178137945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).