(6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

C27H25N7O4 — CID 178138550

IUPAC(6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESCOC1C[C@@H](C(=O)NCc2cc3cnccc3[nH]2)n2c1ncc(NCc1coc(-c3ccccc3)n1)c2=O
InChIInChI=1S/C27H25N7O4/c1-37-23-10-22(25(35)31-12-18-9-17-11-28-8-7-20(17)32-18)34-24(23)30-14-21(27(34)36)29-13-19-15-38-26(33-19)16-5-3-2-4-6-16/h2-9,11,14-15,22-23,29,32H,10,12-13H2,1H3,(H,31,35)/t22-,23?/m0/s1
InChIKeyBVTRQUBHDDBDOD-NQCNTLBGSA-N
MW511.54 g/mol
LogP3.34
Rot. Bonds8

About (6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

(6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 178138550) has the molecular formula C27H25N7O4 and a molecular weight of 511.54 g/mol. Its IUPAC name is (6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
PubChem CID178138550
Molecular FormulaC27H25N7O4
Molecular Weight511.54 g/mol
Exact Mass511.20
IUPAC Name(6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
SMILESCOC1C[C@@H](C(=O)NCc2cc3cnccc3[nH]2)n2c1ncc(NCc1coc(-c3ccccc3)n1)c2=O
InChIInChI=1S/C27H25N7O4/c1-37-23-10-22(25(35)31-12-18-9-17-11-28-8-7-20(17)32-18)34-24(23)30-14-21(27(34)36)29-13-19-15-38-26(33-19)16-5-3-2-4-6-16/h2-9,11,14-15,22-23,29,32H,10,12-13H2,1H3,(H,31,35)/t22-,23?/m0/s1
InChIKeyBVTRQUBHDDBDOD-NQCNTLBGSA-N
XLogP3.34
TPSA139.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.54
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(8S)-3-(benzylamino)-1-chloro-8-ethyl-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 177114766
4-cyclopropyl-5-methylidene-1-[(E)-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]but-2-enoyl]pyrrolidine-2-carbaldehyde;N-methyl-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanamine;propane
CID 178137763
2-(3-fluorophenyl)-N-[6-oxo-1-[2-oxo-2-(1H-pyrrolo[3,2-c]pyridin-2-ylmethylamino)ethyl]-2-phenylpyrimidin-5-yl]-1,3-oxazole-4-carboxamide
CID 175993561
1-[(2R)-2-amino-4-phenylbutanoyl]-4-(methoxymethyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 162449960
3-[[1-(3-methylphenyl)cyclopropyl]amino]-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 177114728
(6S)-1-chloro-3-(4-methoxybutylamino)-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 177114876
1-chloro-3-(cyclobutylamino)-4-oxo-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 177114794
[3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol
CID 84595089
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
1-(2-amino-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 165163383
methyl 2-[(2S)-3-oxo-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-2-yl]acetate
CID 94797382
cis-(1R,3S)-N-[(2S)-1-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethylamino)propan-2-yl]-3-phenylcyclohexane-1-carboxamide
CID 158065505

Frequently Asked Questions

What is the IUPAC name of (6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of (6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 178138550) is (6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for (6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is COC1C[C@@H](C(=O)NCc2cc3cnccc3[nH]2)n2c1ncc(NCc1coc(-c3ccccc3)n1)c2=O.
What is the InChIKey of (6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is BVTRQUBHDDBDOD-NQCNTLBGSA-N. The full InChI is InChI=1S/C27H25N7O4/c1-37-23-10-22(25(35)31-12-18-9-17-11-28-8-7-20(17)32-18)34-24(23)30-14-21(27(34)36)29-13-19-15-38-26(33-19)16-5-3-2-4-6-16/h2-9,11,14-15,22-23,29,32H,10,12-13H2,1H3,(H,31,35)/t22-,23?/m0/s1.
What are the key properties of (6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?
(6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 511.54 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-methoxy-4-oxo-3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 178138550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).