(6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C25H22Cl2N10O2 — CID 118106746

IUPAC(6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCOCCNc1ccc(-c2nc([C@@H]3CCc4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cn1
InChIInChI=1S/C25H22Cl2N10O2/c1-39-9-8-28-20-6-2-14(12-29-20)23-24(27)33-25(32-23)19-5-7-21-31-17(11-22(38)37(19)21)16-10-15(26)3-4-18(16)36-13-30-34-35-36/h2-4,6,10-13,19H,5,7-9H2,1H3,(H,28,29)(H,32,33)/t19-/m0/s1
InChIKeyQIYCBBIUOXCJSY-IBGZPJMESA-N
MW565.43 g/mol
LogP3.57
Rot. Bonds8

About (6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

(6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 118106746) has the molecular formula C25H22Cl2N10O2 and a molecular weight of 565.43 g/mol. Its IUPAC name is (6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID118106746
Molecular FormulaC25H22Cl2N10O2
Molecular Weight565.43 g/mol
Exact Mass564.13
IUPAC Name(6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCOCCNc1ccc(-c2nc([C@@H]3CCc4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cn1
InChIInChI=1S/C25H22Cl2N10O2/c1-39-9-8-28-20-6-2-14(12-29-20)23-24(27)33-25(32-23)19-5-7-21-31-17(11-22(38)37(19)21)16-10-15(26)3-4-18(16)36-13-30-34-35-36/h2-4,6,10-13,19H,5,7-9H2,1H3,(H,28,29)(H,32,33)/t19-/m0/s1
InChIKeyQIYCBBIUOXCJSY-IBGZPJMESA-N
XLogP3.57
TPSA141.32 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of (6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 118106746) is (6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for (6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for (6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is COCCNc1ccc(-c2nc([C@@H]3CCc4nc(-c5cc(Cl)ccc5-n5cnnn5)cc(=O)n43)[nH]c2Cl)cn1.
What is the InChIKey of (6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is QIYCBBIUOXCJSY-IBGZPJMESA-N. The full InChI is InChI=1S/C25H22Cl2N10O2/c1-39-9-8-28-20-6-2-14(12-29-20)23-24(27)33-25(32-23)19-5-7-21-31-17(11-22(38)37(19)21)16-10-15(26)3-4-18(16)36-13-30-34-35-36/h2-4,6,10-13,19H,5,7-9H2,1H3,(H,28,29)(H,32,33)/t19-/m0/s1.
What are the key properties of (6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
(6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 565.43 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[5-chloro-4-[6-(2-methoxyethylamino)-3-pyridinyl]-1H-imidazol-2-yl]-2-[5-chloro-2-(tetrazol-1-yl)phenyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118106746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).