1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one

C19H29N5O2 — CID 119423405

IUPAC1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)N3CCC(CN)CC3)c(C)c12
InChIInChI=1S/C19H29N5O2/c1-12-15(5-6-16(25)24-9-7-14(11-20)8-10-24)13(2)21-18-17(12)19(26-4)22-23(18)3/h14H,5-11,20H2,1-4H3
InChIKeyYOAIOUFRTVNRHL-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.72
Rot. Bonds5

About 1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one

1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one (PubChem CID 119423405) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
PubChem CID119423405
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one
SMILESCOc1nn(C)c2nc(C)c(CCC(=O)N3CCC(CN)CC3)c(C)c12
InChIInChI=1S/C19H29N5O2/c1-12-15(5-6-16(25)24-9-7-14(11-20)8-10-24)13(2)21-18-17(12)19(26-4)22-23(18)3/h14H,5-11,20H2,1-4H3
InChIKeyYOAIOUFRTVNRHL-UHFFFAOYSA-N
XLogP1.72
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one (CID 119423405) is 1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one is COc1nn(C)c2nc(C)c(CCC(=O)N3CCC(CN)CC3)c(C)c12.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one?
The InChIKey is YOAIOUFRTVNRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-12-15(5-6-16(25)24-9-7-14(11-20)8-10-24)13(2)21-18-17(12)19(26-4)22-23(18)3/h14H,5-11,20H2,1-4H3.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one?
1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one has a molecular weight of 359.47 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]-3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 119423405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).