5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H19N7 — CID 95799992

IUPAC5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(-c3nccn3C)nn2c(NCc2cccnc2)c1C
InChIInChI=1S/C18H19N7/c1-12-13(2)22-16-9-15(18-20-7-8-24(18)3)23-25(16)17(12)21-11-14-5-4-6-19-10-14/h4-10,21H,11H2,1-3H3
InChIKeyWCTOHPVVHJKFBB-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.75
Rot. Bonds4

About 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95799992) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95799992
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2cc(-c3nccn3C)nn2c(NCc2cccnc2)c1C
InChIInChI=1S/C18H19N7/c1-12-13(2)22-16-9-15(18-20-7-8-24(18)3)23-25(16)17(12)21-11-14-5-4-6-19-10-14/h4-10,21H,11H2,1-3H3
InChIKeyWCTOHPVVHJKFBB-UHFFFAOYSA-N
XLogP2.75
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95799995
[(3S)-1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl]methanol
CID 95800018
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
1-[5,6-dimethyl-2-(1-methylimidazol-2-yl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
CID 110220003
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
7-methyl-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 43232785
7-methyl-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877265
5,6-dimethyl-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 114383128
1-ethyl-3-methyl-4-nitro-N-(pyridin-3-ylmethyl)pyrazol-5-amine
CID 66011411
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
2-fluoro-9-(111C)methyl-N-(pyridin-3-ylmethyl)purin-6-amine
CID 140906921
2-(2-methylimidazol-1-yl)-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 60944674

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 95799992) is 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1nc2cc(-c3nccn3C)nn2c(NCc2cccnc2)c1C.
What is the InChIKey of 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WCTOHPVVHJKFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-12-13(2)22-16-9-15(18-20-7-8-24(18)3)23-25(16)17(12)21-11-14-5-4-6-19-10-14/h4-10,21H,11H2,1-3H3.
What are the key properties of 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 333.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95799992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).