1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine

C20H21N5 — CID 166364340

IUPAC1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine
SMILESCc1cc2cc(CNCc3cc(-c4ccncc4)n[nH]3)ccc2n1C
InChIInChI=1S/C20H21N5/c1-14-9-17-10-15(3-4-20(17)25(14)2)12-22-13-18-11-19(24-23-18)16-5-7-21-8-6-16/h3-11,22H,12-13H2,1-2H3,(H,23,24)
InChIKeyWZDLASJODXKUKF-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.56
Rot. Bonds5

About 1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine

1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine (PubChem CID 166364340) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine
PubChem CID166364340
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine
SMILESCc1cc2cc(CNCc3cc(-c4ccncc4)n[nH]3)ccc2n1C
InChIInChI=1S/C20H21N5/c1-14-9-17-10-15(3-4-20(17)25(14)2)12-22-13-18-11-19(24-23-18)16-5-7-21-8-6-16/h3-11,22H,12-13H2,1-2H3,(H,23,24)
InChIKeyWZDLASJODXKUKF-UHFFFAOYSA-N
XLogP3.56
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine (CID 166364340) is 1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine is Cc1cc2cc(CNCc3cc(-c4ccncc4)n[nH]3)ccc2n1C.
What is the InChIKey of 1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine?
The InChIKey is WZDLASJODXKUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-14-9-17-10-15(3-4-20(17)25(14)2)12-22-13-18-11-19(24-23-18)16-5-7-21-8-6-16/h3-11,22H,12-13H2,1-2H3,(H,23,24).
What are the key properties of 1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine?
1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine has a molecular weight of 331.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-5-yl)-N-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 166364340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).