3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C28H36FN5O2 — CID 66798559

IUPAC3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(NC(=O)CCC1CCCC1)CC2)C1CCN(c2ncncc2F)CC1
InChIInChI=1S/C28H36FN5O2/c1-33(22-12-14-34(15-13-22)27-24(29)17-30-18-31-27)28(36)21-8-7-20-9-10-25(23(20)16-21)32-26(35)11-6-19-4-2-3-5-19/h7-8,16-19,22,25H,2-6,9-15H2,1H3,(H,32,35)
InChIKeyJJHHTJWQQQQHNK-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.43
Rot. Bonds7

About 3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 66798559) has the molecular formula C28H36FN5O2 and a molecular weight of 493.63 g/mol. Its IUPAC name is 3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID66798559
Molecular FormulaC28H36FN5O2
Molecular Weight493.63 g/mol
Exact Mass493.29
IUPAC Name3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(NC(=O)CCC1CCCC1)CC2)C1CCN(c2ncncc2F)CC1
InChIInChI=1S/C28H36FN5O2/c1-33(22-12-14-34(15-13-22)27-24(29)17-30-18-31-27)28(36)21-8-7-20-9-10-25(23(20)16-21)32-26(35)11-6-19-4-2-3-5-19/h7-8,16-19,22,25H,2-6,9-15H2,1H3,(H,32,35)
InChIKeyJJHHTJWQQQQHNK-UHFFFAOYSA-N
XLogP4.43
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-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 3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 66798559) is 3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is CN(C(=O)c1ccc2c(c1)C(NC(=O)CCC1CCCC1)CC2)C1CCN(c2ncncc2F)CC1.
What is the InChIKey of 3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is JJHHTJWQQQQHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN5O2/c1-33(22-12-14-34(15-13-22)27-24(29)17-30-18-31-27)28(36)21-8-7-20-9-10-25(23(20)16-21)32-26(35)11-6-19-4-2-3-5-19/h7-8,16-19,22,25H,2-6,9-15H2,1H3,(H,32,35).
What are the key properties of 3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylpropanoylamino)-N-[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 66798559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).