N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide

C20H21N5O — CID 135870701

IUPACN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
InChIInChI=1S/C20H21N5O/c1-20(2,3)19(26)25(4)17-10-9-14-15(22-17)11-16(21-14)18-12-7-5-6-8-13(12)23-24-18/h5-11,21H,1-4H3,(H,23,24)
InChIKeyYWWYFJINRGHQRA-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.12
Rot. Bonds2

About N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide

N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide (PubChem CID 135870701) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide
PubChem CID135870701
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1
InChIInChI=1S/C20H21N5O/c1-20(2,3)19(26)25(4)17-10-9-14-15(22-17)11-16(21-14)18-12-7-5-6-8-13(12)23-24-18/h5-11,21H,1-4H3,(H,23,24)
InChIKeyYWWYFJINRGHQRA-UHFFFAOYSA-N
XLogP4.12
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide (CID 135870701) is N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2n1.
What is the InChIKey of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide?
The InChIKey is YWWYFJINRGHQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-20(2,3)19(26)25(4)17-10-9-14-15(22-17)11-16(21-14)18-12-7-5-6-8-13(12)23-24-18/h5-11,21H,1-4H3,(H,23,24).
What are the key properties of N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide?
N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indazol-3-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 135870701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).