1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine

C18H22N4O — CID 167840487

IUPAC1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine
SMILESCCC(NCc1n[nH]c2c1COCC2)c1cccc2cc[nH]c12
InChIInChI=1S/C18H22N4O/c1-2-15(13-5-3-4-12-6-8-19-18(12)13)20-10-17-14-11-23-9-7-16(14)21-22-17/h3-6,8,15,19-20H,2,7,9-11H2,1H3,(H,21,22)
InChIKeyZUTIQUZMNFDJSS-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.20
Rot. Bonds5

About 1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine

1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine (PubChem CID 167840487) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine
PubChem CID167840487
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine
SMILESCCC(NCc1n[nH]c2c1COCC2)c1cccc2cc[nH]c12
InChIInChI=1S/C18H22N4O/c1-2-15(13-5-3-4-12-6-8-19-18(12)13)20-10-17-14-11-23-9-7-16(14)21-22-17/h3-6,8,15,19-20H,2,7,9-11H2,1H3,(H,21,22)
InChIKeyZUTIQUZMNFDJSS-UHFFFAOYSA-N
XLogP3.20
TPSA65.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-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 1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine?
The IUPAC name of 1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine (CID 167840487) is 1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine is CCC(NCc1n[nH]c2c1COCC2)c1cccc2cc[nH]c12.
What is the InChIKey of 1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine?
The InChIKey is ZUTIQUZMNFDJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-15(13-5-3-4-12-6-8-19-18(12)13)20-10-17-14-11-23-9-7-16(14)21-22-17/h3-6,8,15,19-20H,2,7,9-11H2,1H3,(H,21,22).
What are the key properties of 1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine?
1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-7-yl)-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 167840487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).