1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine

C20H21N5 — CID 167855728

IUPAC1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine
SMILESCc1cc(CNCc2ccc3ccn(C)c3c2)cnc1-n1cccn1
InChIInChI=1S/C20H21N5/c1-15-10-17(14-22-20(15)25-8-3-7-23-25)13-21-12-16-4-5-18-6-9-24(2)19(18)11-16/h3-11,14,21H,12-13H2,1-2H3
InChIKeyHAXKYJMQCQTZQR-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.36
Rot. Bonds5

About 1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine

1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine (PubChem CID 167855728) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine
PubChem CID167855728
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine
SMILESCc1cc(CNCc2ccc3ccn(C)c3c2)cnc1-n1cccn1
InChIInChI=1S/C20H21N5/c1-15-10-17(14-22-20(15)25-8-3-7-23-25)13-21-12-16-4-5-18-6-9-24(2)19(18)11-16/h3-11,14,21H,12-13H2,1-2H3
InChIKeyHAXKYJMQCQTZQR-UHFFFAOYSA-N
XLogP3.36
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine (CID 167855728) is 1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine is Cc1cc(CNCc2ccc3ccn(C)c3c2)cnc1-n1cccn1.
What is the InChIKey of 1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine?
The InChIKey is HAXKYJMQCQTZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-15-10-17(14-22-20(15)25-8-3-7-23-25)13-21-12-16-4-5-18-6-9-24(2)19(18)11-16/h3-11,14,21H,12-13H2,1-2H3.
What are the key properties of 1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine?
1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine has a molecular weight of 331.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-6-yl)-N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 167855728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).