[3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone

C20H28N4O3 — CID 30877110

IUPAC[3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone
SMILESCC(C)Cc1n[nH]c2c1CN(C(=O)c1coc(CN3CCOCC3)c1)CC2
InChIInChI=1S/C20H28N4O3/c1-14(2)9-19-17-12-24(4-3-18(17)21-22-19)20(25)15-10-16(27-13-15)11-23-5-7-26-8-6-23/h10,13-14H,3-9,11-12H2,1-2H3,(H,21,22)
InChIKeyNAMIVPSEUWCQOC-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.23
Rot. Bonds5

About [3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone

[3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone (PubChem CID 30877110) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone
PubChem CID30877110
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name[3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone
SMILESCC(C)Cc1n[nH]c2c1CN(C(=O)c1coc(CN3CCOCC3)c1)CC2
InChIInChI=1S/C20H28N4O3/c1-14(2)9-19-17-12-24(4-3-18(17)21-22-19)20(25)15-10-16(27-13-15)11-23-5-7-26-8-6-23/h10,13-14H,3-9,11-12H2,1-2H3,(H,21,22)
InChIKeyNAMIVPSEUWCQOC-UHFFFAOYSA-N
XLogP2.23
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone 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-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone?
The IUPAC name of [3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone (CID 30877110) is [3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone.
What is the SMILES notation for [3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone?
The canonical SMILES for [3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone is CC(C)Cc1n[nH]c2c1CN(C(=O)c1coc(CN3CCOCC3)c1)CC2.
What is the InChIKey of [3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone?
The InChIKey is NAMIVPSEUWCQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14(2)9-19-17-12-24(4-3-18(17)21-22-19)20(25)15-10-16(27-13-15)11-23-5-7-26-8-6-23/h10,13-14H,3-9,11-12H2,1-2H3,(H,21,22).
What are the key properties of [3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone?
[3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[5-(morpholin-4-ylmethyl)furan-3-yl]methanone is sourced from PubChem (CID 30877110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).