N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine

C21H21N7 — CID 155925931

IUPACN,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
SMILESCN(C)Cc1cnn(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)c1
InChIInChI=1S/C21H21N7/c1-26(2)12-14-11-23-28(13-14)18-7-9-22-21-19(18)24-20(25-21)16-5-4-6-17-15(16)8-10-27(17)3/h4-11,13H,12H2,1-3H3,(H,22,24,25)
InChIKeyTVDTXKARIOKJSV-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.36
Rot. Bonds4

About N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine

N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine (PubChem CID 155925931) has the molecular formula C21H21N7 and a molecular weight of 371.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
PubChem CID155925931
Molecular FormulaC21H21N7
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC NameN,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
SMILESCN(C)Cc1cnn(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)c1
InChIInChI=1S/C21H21N7/c1-26(2)12-14-11-23-28(13-14)18-7-9-22-21-19(18)24-20(25-21)16-5-4-6-17-15(16)8-10-27(17)3/h4-11,13H,12H2,1-3H3,(H,22,24,25)
InChIKeyTVDTXKARIOKJSV-UHFFFAOYSA-N
XLogP3.36
TPSA67.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine (CID 155925931) is N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine is CN(C)Cc1cnn(-c2ccnc3nc(-c4cccc5c4ccn5C)[nH]c23)c1.
What is the InChIKey of N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
The InChIKey is TVDTXKARIOKJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7/c1-26(2)12-14-11-23-28(13-14)18-7-9-22-21-19(18)24-20(25-21)16-5-4-6-17-15(16)8-10-27(17)3/h4-11,13H,12H2,1-3H3,(H,22,24,25).
What are the key properties of N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine?
N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine has a molecular weight of 371.45 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-[2-(1-methylindol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 155925931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).