3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine

C15H25BrN4O — CID 170097982

IUPAC3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine
SMILESCCc1nn2c(c1Br)CCC(N)C2COC1CCNCC1
InChIInChI=1S/C15H25BrN4O/c1-2-12-15(16)13-4-3-11(17)14(20(13)19-12)9-21-10-5-7-18-8-6-10/h10-11,14,18H,2-9,17H2,1H3
InChIKeyKVLBGRGWRJIGMU-UHFFFAOYSA-N
MW357.30 g/mol
LogP1.79
Rot. Bonds4

About 3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine

3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine (PubChem CID 170097982) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine
PubChem CID170097982
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine
SMILESCCc1nn2c(c1Br)CCC(N)C2COC1CCNCC1
InChIInChI=1S/C15H25BrN4O/c1-2-12-15(16)13-4-3-11(17)14(20(13)19-12)9-21-10-5-7-18-8-6-10/h10-11,14,18H,2-9,17H2,1H3
InChIKeyKVLBGRGWRJIGMU-UHFFFAOYSA-N
XLogP1.79
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine 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 3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine (CID 170097982) is 3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine is CCc1nn2c(c1Br)CCC(N)C2COC1CCNCC1.
What is the InChIKey of 3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine?
The InChIKey is KVLBGRGWRJIGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-2-12-15(16)13-4-3-11(17)14(20(13)19-12)9-21-10-5-7-18-8-6-10/h10-11,14,18H,2-9,17H2,1H3.
What are the key properties of 3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine?
3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine has a molecular weight of 357.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-ethyl-7-(piperidin-4-yloxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 170097982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).