4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone

C22H18N4O2S — CID 34474325

IUPAC4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC[C@@H]1c1nnc2ccccn12
InChIInChI=1S/C22H18N4O2S/c27-22(18-12-14-13-28-17-8-2-1-6-15(17)20(14)29-18)25-11-5-7-16(25)21-24-23-19-9-3-4-10-26(19)21/h1-4,6,8-10,12,16H,5,7,11,13H2/t16-/m1/s1
InChIKeySICCGIXVDSMGFS-MRXNPFEDSA-N
MW402.48 g/mol
LogP4.33
Rot. Bonds2

About 4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone

4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 34474325) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is 4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID34474325
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC Name4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC[C@@H]1c1nnc2ccccn12
InChIInChI=1S/C22H18N4O2S/c27-22(18-12-14-13-28-17-8-2-1-6-15(17)20(14)29-18)25-11-5-7-16(25)21-24-23-19-9-3-4-10-26(19)21/h1-4,6,8-10,12,16H,5,7,11,13H2/t16-/m1/s1
InChIKeySICCGIXVDSMGFS-MRXNPFEDSA-N
XLogP4.33
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

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[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 37342266
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CID 95299285
(2,4-difluorophenyl)-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
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CID 46637490
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4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
(2-methylmorpholin-4-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
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[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 39975800
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Frequently Asked Questions

What is the IUPAC name of 4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 34474325) is 4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone is O=C(c1cc2c(s1)-c1ccccc1OC2)N1CCC[C@@H]1c1nnc2ccccn12.
What is the InChIKey of 4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SICCGIXVDSMGFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H18N4O2S/c27-22(18-12-14-13-28-17-8-2-1-6-15(17)20(14)29-18)25-11-5-7-16(25)21-24-23-19-9-3-4-10-26(19)21/h1-4,6,8-10,12,16H,5,7,11,13H2/t16-/m1/s1.
What are the key properties of 4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone?
4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 402.48 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thieno[3,2-c]chromen-2-yl-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 34474325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).