N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide

C19H17N7O3 — CID 121231301

IUPACN-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide
SMILESO=C(Cn1nccn1)Nc1cc(C(=O)c2cn(CCO)c3ccncc23)ccn1
InChIInChI=1S/C19H17N7O3/c27-8-7-25-11-15(14-10-20-3-2-16(14)25)19(29)13-1-4-21-17(9-13)24-18(28)12-26-22-5-6-23-26/h1-6,9-11,27H,7-8,12H2,(H,21,24,28)
InChIKeyDRIKDXORYBTXKN-UHFFFAOYSA-N
MW391.39 g/mol
LogP0.88
Rot. Bonds7

About N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide

N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide (PubChem CID 121231301) has the molecular formula C19H17N7O3 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide
PubChem CID121231301
Molecular FormulaC19H17N7O3
Molecular Weight391.39 g/mol
Exact Mass391.14
IUPAC NameN-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide
SMILESO=C(Cn1nccn1)Nc1cc(C(=O)c2cn(CCO)c3ccncc23)ccn1
InChIInChI=1S/C19H17N7O3/c27-8-7-25-11-15(14-10-20-3-2-16(14)25)19(29)13-1-4-21-17(9-13)24-18(28)12-26-22-5-6-23-26/h1-6,9-11,27H,7-8,12H2,(H,21,24,28)
InChIKeyDRIKDXORYBTXKN-UHFFFAOYSA-N
XLogP0.88
TPSA127.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 51034710
6-cyclopropyl-N-[1-(2-hydroxyethyl)-3-phenylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328252
4-N-[2-(2-fluoroethoxy)ethyl]-4-N,1-dimethyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87382935
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-pyrazol-1-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958792
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958840
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958842
1-(4-benzoylpiperazin-1-yl)-2-[7-(1,2,4-triazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958909
1-(4-benzoylpiperazin-1-yl)-2-[4-(3-phenylpyrazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024300
1-(4-benzoylpiperazin-1-yl)-2-[4-(3-methylpyrazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25027074
1-(4-benzoylpiperazin-1-yl)-2-[4-(1H-pyrazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729274
1-(4-benzoylpiperazin-1-yl)-2-[4-(3-pyridin-2-ylpyrazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729307

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide?
The IUPAC name of N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide (CID 121231301) is N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide.
What is the SMILES notation for N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide?
The canonical SMILES for N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide is O=C(Cn1nccn1)Nc1cc(C(=O)c2cn(CCO)c3ccncc23)ccn1.
What is the InChIKey of N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide?
The InChIKey is DRIKDXORYBTXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O3/c27-8-7-25-11-15(14-10-20-3-2-16(14)25)19(29)13-1-4-21-17(9-13)24-18(28)12-26-22-5-6-23-26/h1-6,9-11,27H,7-8,12H2,(H,21,24,28).
What are the key properties of N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide?
N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide has a molecular weight of 391.39 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-3-carbonyl]-2-pyridinyl]-2-(triazol-2-yl)acetamide is sourced from PubChem (CID 121231301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).