N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

C19H19N5O3S — CID 145343301

IUPACN-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)CCN(C(=O)CNC(=O)c1cnc3[nH]ccc3c1)C2
InChIInChI=1S/C19H19N5O3S/c1-20-19(27)15-7-13-10-24(5-3-14(13)28-15)16(25)9-23-18(26)12-6-11-2-4-21-17(11)22-8-12/h2,4,6-8H,3,5,9-10H2,1H3,(H,20,27)(H,21,22)(H,23,26)
InChIKeyHYBWOALFBKHEMK-UHFFFAOYSA-N
MW397.46 g/mol
LogP1.30
Rot. Bonds4

About N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 145343301) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
PubChem CID145343301
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(s1)CCN(C(=O)CNC(=O)c1cnc3[nH]ccc3c1)C2
InChIInChI=1S/C19H19N5O3S/c1-20-19(27)15-7-13-10-24(5-3-14(13)28-15)16(25)9-23-18(26)12-6-11-2-4-21-17(11)22-8-12/h2,4,6-8H,3,5,9-10H2,1H3,(H,20,27)(H,21,22)(H,23,26)
InChIKeyHYBWOALFBKHEMK-UHFFFAOYSA-N
XLogP1.30
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide (CID 145343301) is N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(s1)CCN(C(=O)CNC(=O)c1cnc3[nH]ccc3c1)C2.
What is the InChIKey of N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is HYBWOALFBKHEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-20-19(27)15-7-13-10-24(5-3-14(13)28-15)16(25)9-23-18(26)12-6-11-2-4-21-17(11)22-8-12/h2,4,6-8H,3,5,9-10H2,1H3,(H,20,27)(H,21,22)(H,23,26).
What are the key properties of N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide?
N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(1H-pyrrolo[2,3-b]pyridine-5-carbonylamino)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 145343301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).