7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C24H22N6O3S — CID 146592240

IUPAC7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-c4nccs4)cnc3OC3CC3)cc12
InChIInChI=1S/C24H22N6O3S/c1-25-22(32)17-11-27-20(30-21(31)12-2-3-12)19-15(17)9-18(29-19)16-8-13(24-26-6-7-34-24)10-28-23(16)33-14-4-5-14/h6-12,14,29H,2-5H2,1H3,(H,25,32)(H,27,30,31)
InChIKeyGWDIQMMEQINIFP-UHFFFAOYSA-N
MW474.55 g/mol
LogP4.00
Rot. Bonds7

About 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592240) has the molecular formula C24H22N6O3S and a molecular weight of 474.55 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592240
Molecular FormulaC24H22N6O3S
Molecular Weight474.55 g/mol
Exact Mass474.15
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-c4nccs4)cnc3OC3CC3)cc12
InChIInChI=1S/C24H22N6O3S/c1-25-22(32)17-11-27-20(30-21(31)12-2-3-12)19-15(17)9-18(29-19)16-8-13(24-26-6-7-34-24)10-28-23(16)33-14-4-5-14/h6-12,14,29H,2-5H2,1H3,(H,25,32)(H,27,30,31)
InChIKeyGWDIQMMEQINIFP-UHFFFAOYSA-N
XLogP4.00
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592240) is 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-c4nccs4)cnc3OC3CC3)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is GWDIQMMEQINIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3S/c1-25-22(32)17-11-27-20(30-21(31)12-2-3-12)19-15(17)9-18(29-19)16-8-13(24-26-6-7-34-24)10-28-23(16)33-14-4-5-14/h6-12,14,29H,2-5H2,1H3,(H,25,32)(H,27,30,31).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 474.55 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-cyclopropyloxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).