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

C18H22N4O — CID 53499067

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
SMILESCOCc1ccccc1CNCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C18H22N4O/c1-13-17-8-14(10-20-18(17)22(2)21-13)9-19-11-15-6-4-5-7-16(15)12-23-3/h4-8,10,19H,9,11-12H2,1-3H3
InChIKeyIOXIOVAMBFTCHY-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.71
Rot. Bonds6

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

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine (PubChem CID 53499067) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
PubChem CID53499067
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
SMILESCOCc1ccccc1CNCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C18H22N4O/c1-13-17-8-14(10-20-18(17)22(2)21-13)9-19-11-15-6-4-5-7-16(15)12-23-3/h4-8,10,19H,9,11-12H2,1-3H3
InChIKeyIOXIOVAMBFTCHY-UHFFFAOYSA-N
XLogP2.71
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine (CID 53499067) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine is COCc1ccccc1CNCc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine?
The InChIKey is IOXIOVAMBFTCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-17-8-14(10-20-18(17)22(2)21-13)9-19-11-15-6-4-5-7-16(15)12-23-3/h4-8,10,19H,9,11-12H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine has a molecular weight of 310.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine is sourced from PubChem (CID 53499067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).