5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C25H23N5O3S — CID 130194186

IUPAC5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)CCN(C(=O)[C@H](NC(=O)c1ccc3[nH]ncc3c1)c1ccccc1)C2
InChIInChI=1S/C25H23N5O3S/c1-26-24(32)21-12-18-14-30(10-9-20(18)34-21)25(33)22(15-5-3-2-4-6-15)28-23(31)16-7-8-19-17(11-16)13-27-29-19/h2-8,11-13,22H,9-10,14H2,1H3,(H,26,32)(H,27,29)(H,28,31)/t22-/m1/s1
InChIKeyRTICCHLYWVVIHB-JOCHJYFZSA-N
MW473.56 g/mol
LogP3.04
Rot. Bonds5

About 5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 130194186) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID130194186
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)CCN(C(=O)[C@H](NC(=O)c1ccc3[nH]ncc3c1)c1ccccc1)C2
InChIInChI=1S/C25H23N5O3S/c1-26-24(32)21-12-18-14-30(10-9-20(18)34-21)25(33)22(15-5-3-2-4-6-15)28-23(31)16-7-8-19-17(11-16)13-27-29-19/h2-8,11-13,22H,9-10,14H2,1H3,(H,26,32)(H,27,29)(H,28,31)/t22-/m1/s1
InChIKeyRTICCHLYWVVIHB-JOCHJYFZSA-N
XLogP3.04
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 130194186) is 5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(s1)CCN(C(=O)[C@H](NC(=O)c1ccc3[nH]ncc3c1)c1ccccc1)C2.
What is the InChIKey of 5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is RTICCHLYWVVIHB-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-26-24(32)21-12-18-14-30(10-9-20(18)34-21)25(33)22(15-5-3-2-4-6-15)28-23(31)16-7-8-19-17(11-16)13-27-29-19/h2-8,11-13,22H,9-10,14H2,1H3,(H,26,32)(H,27,29)(H,28,31)/t22-/m1/s1.
What are the key properties of 5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(1H-indazole-5-carbonylamino)-2-phenylacetyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 130194186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).