6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C19H17N7O2S — CID 166618191

IUPAC6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCc1cscn1)c1n[nH]c2c1CCN(C(=O)c1cc3cccnc3[nH]1)C2
InChIInChI=1S/C19H17N7O2S/c27-18(21-7-12-9-29-10-22-12)16-13-3-5-26(8-15(13)24-25-16)19(28)14-6-11-2-1-4-20-17(11)23-14/h1-2,4,6,9-10H,3,5,7-8H2,(H,20,23)(H,21,27)(H,24,25)
InChIKeyGOPNVQKCVCKMAL-UHFFFAOYSA-N
MW407.46 g/mol
LogP1.87
Rot. Bonds4

About 6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 166618191) has the molecular formula C19H17N7O2S and a molecular weight of 407.46 g/mol. Its IUPAC name is 6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID166618191
Molecular FormulaC19H17N7O2S
Molecular Weight407.46 g/mol
Exact Mass407.12
IUPAC Name6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESO=C(NCc1cscn1)c1n[nH]c2c1CCN(C(=O)c1cc3cccnc3[nH]1)C2
InChIInChI=1S/C19H17N7O2S/c27-18(21-7-12-9-29-10-22-12)16-13-3-5-26(8-15(13)24-25-16)19(28)14-6-11-2-1-4-20-17(11)23-14/h1-2,4,6,9-10H,3,5,7-8H2,(H,20,23)(H,21,27)(H,24,25)
InChIKeyGOPNVQKCVCKMAL-UHFFFAOYSA-N
XLogP1.87
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 166618191) is 6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is O=C(NCc1cscn1)c1n[nH]c2c1CCN(C(=O)c1cc3cccnc3[nH]1)C2.
What is the InChIKey of 6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is GOPNVQKCVCKMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O2S/c27-18(21-7-12-9-29-10-22-12)16-13-3-5-26(8-15(13)24-25-16)19(28)14-6-11-2-1-4-20-17(11)23-14/h1-2,4,6,9-10H,3,5,7-8H2,(H,20,23)(H,21,27)(H,24,25).
What are the key properties of 6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-N-(1,3-thiazol-4-ylmethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 166618191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).