1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine

C18H20N6 — CID 166200105

IUPAC1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
SMILESCc1nc2ccccn2c1CNCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C18H20N6/c1-12-15-8-14(10-20-18(15)23(3)22-12)9-19-11-16-13(2)21-17-6-4-5-7-24(16)17/h4-8,10,19H,9,11H2,1-3H3
InChIKeySKECMRFQOBJQQB-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.52
Rot. Bonds4

About 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine

1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine (PubChem CID 166200105) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
PubChem CID166200105
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
SMILESCc1nc2ccccn2c1CNCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C18H20N6/c1-12-15-8-14(10-20-18(15)23(3)22-12)9-19-11-16-13(2)21-17-6-4-5-7-24(16)17/h4-8,10,19H,9,11H2,1-3H3
InChIKeySKECMRFQOBJQQB-UHFFFAOYSA-N
XLogP2.52
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine (CID 166200105) is 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine is Cc1nc2ccccn2c1CNCc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
The InChIKey is SKECMRFQOBJQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-12-15-8-14(10-20-18(15)23(3)22-12)9-19-11-16-13(2)21-17-6-4-5-7-24(16)17/h4-8,10,19H,9,11H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine?
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine has a molecular weight of 320.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine is sourced from PubChem (CID 166200105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).