(2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide

C19H21N5O2S — CID 56708696

IUPAC(2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide
SMILESCc1cccn2c(CNC(=O)[C@@H]3C[C@@H](NC(=O)c4cccs4)CN3)cnc12
InChIInChI=1S/C19H21N5O2S/c1-12-4-2-6-24-14(10-21-17(12)24)11-22-18(25)15-8-13(9-20-15)23-19(26)16-5-3-7-27-16/h2-7,10,13,15,20H,8-9,11H2,1H3,(H,22,25)(H,23,26)/t13-,15+/m1/s1
InChIKeyLJNAJOYWWNRQGV-HIFRSBDPSA-N
MW383.48 g/mol
LogP1.48
Rot. Bonds5

About (2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide

(2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide (PubChem CID 56708696) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is (2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide
PubChem CID56708696
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name(2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide
SMILESCc1cccn2c(CNC(=O)[C@@H]3C[C@@H](NC(=O)c4cccs4)CN3)cnc12
InChIInChI=1S/C19H21N5O2S/c1-12-4-2-6-24-14(10-21-17(12)24)11-22-18(25)15-8-13(9-20-15)23-19(26)16-5-3-7-27-16/h2-7,10,13,15,20H,8-9,11H2,1H3,(H,22,25)(H,23,26)/t13-,15+/m1/s1
InChIKeyLJNAJOYWWNRQGV-HIFRSBDPSA-N
XLogP1.48
TPSA87.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide (CID 56708696) is (2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide is Cc1cccn2c(CNC(=O)[C@@H]3C[C@@H](NC(=O)c4cccs4)CN3)cnc12.
What is the InChIKey of (2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide?
The InChIKey is LJNAJOYWWNRQGV-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-4-2-6-24-14(10-21-17(12)24)11-22-18(25)15-8-13(9-20-15)23-19(26)16-5-3-7-27-16/h2-7,10,13,15,20H,8-9,11H2,1H3,(H,22,25)(H,23,26)/t13-,15+/m1/s1.
What are the key properties of (2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide?
(2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56708696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).