N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

C19H27N5O2 — CID 44561089

IUPACN-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(=O)NC3CCCC3)cnc21
InChIInChI=1S/C19H27N5O2/c1-2-24-18-15(12-21-24)17(22-14-7-9-26-10-8-14)16(11-20-18)19(25)23-13-5-3-4-6-13/h11-14H,2-10H2,1H3,(H,20,22)(H,23,25)
InChIKeyZLEDFOJPRPLJAJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.71
Rot. Bonds5

About N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide

N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 44561089) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID44561089
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCn1ncc2c(NC3CCOCC3)c(C(=O)NC3CCCC3)cnc21
InChIInChI=1S/C19H27N5O2/c1-2-24-18-15(12-21-24)17(22-14-7-9-26-10-8-14)16(11-20-18)19(25)23-13-5-3-4-6-13/h11-14H,2-10H2,1H3,(H,20,22)(H,23,25)
InChIKeyZLEDFOJPRPLJAJ-UHFFFAOYSA-N
XLogP2.71
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide 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 N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 44561089) is N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is CCn1ncc2c(NC3CCOCC3)c(C(=O)NC3CCCC3)cnc21.
What is the InChIKey of N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ZLEDFOJPRPLJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-2-24-18-15(12-21-24)17(22-14-7-9-26-10-8-14)16(11-20-18)19(25)23-13-5-3-4-6-13/h11-14H,2-10H2,1H3,(H,20,22)(H,23,25).
What are the key properties of N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide?
N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-ethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 44561089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).