1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine]

C28H34N6S2 — CID 68577015

IUPAC1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine]
SMILESc1cc(N2CCC3(CCCc4cncn43)C2)cs1.c1cc(N2CCC3(CCCc4cncn43)C2)cs1
InChIInChI=1S/2C14H17N3S/c2*1-2-12-8-15-11-17(12)14(4-1)5-6-16(10-14)13-3-7-18-9-13/h2*3,7-9,11H,1-2,4-6,10H2
InChIKeyKLGAQYIRUFNDNQ-UHFFFAOYSA-N
MW518.76 g/mol
LogP5.77
Rot. Bonds2

About 1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine]

1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine] (PubChem CID 68577015) has the molecular formula C28H34N6S2 and a molecular weight of 518.76 g/mol. Its IUPAC name is 1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine].

Molecular Properties

Compound Name1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine]
PubChem CID68577015
Molecular FormulaC28H34N6S2
Molecular Weight518.76 g/mol
Exact Mass518.23
IUPAC Name1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine]
SMILESc1cc(N2CCC3(CCCc4cncn43)C2)cs1.c1cc(N2CCC3(CCCc4cncn43)C2)cs1
InChIInChI=1S/2C14H17N3S/c2*1-2-12-8-15-11-17(12)14(4-1)5-6-16(10-14)13-3-7-18-9-13/h2*3,7-9,11H,1-2,4-6,10H2
InChIKeyKLGAQYIRUFNDNQ-UHFFFAOYSA-N
XLogP5.77
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.76
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine]?
The IUPAC name of 1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine] (CID 68577015) is 1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine].
What is the SMILES notation for 1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine]?
The canonical SMILES for 1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine] is c1cc(N2CCC3(CCCc4cncn43)C2)cs1.c1cc(N2CCC3(CCCc4cncn43)C2)cs1.
What is the InChIKey of 1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine]?
The InChIKey is KLGAQYIRUFNDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H17N3S/c2*1-2-12-8-15-11-17(12)14(4-1)5-6-16(10-14)13-3-7-18-9-13/h2*3,7-9,11H,1-2,4-6,10H2.
What are the key properties of 1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine]?
1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine] has a molecular weight of 518.76 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-thiophen-3-ylspiro[7,8-dihydro-6H-imidazo[1,5-a]pyridine-5,3'-pyrrolidine] is sourced from PubChem (CID 68577015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).