[5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone

C23H33N5O — CID 23582479

IUPAC[5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc2cc(N3CCN(C4CCCC4)CC3)ncc2[nH]1
InChIInChI=1S/C23H33N5O/c1-17-6-4-5-9-28(17)23(29)20-14-18-15-22(24-16-21(18)25-20)27-12-10-26(11-13-27)19-7-2-3-8-19/h14-17,19,25H,2-13H2,1H3
InChIKeyACTFNZGQBRSUAL-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.64
Rot. Bonds3

About [5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone

[5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 23582479) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is [5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID23582479
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name[5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc2cc(N3CCN(C4CCCC4)CC3)ncc2[nH]1
InChIInChI=1S/C23H33N5O/c1-17-6-4-5-9-28(17)23(29)20-14-18-15-22(24-16-21(18)25-20)27-12-10-26(11-13-27)19-7-2-3-8-19/h14-17,19,25H,2-13H2,1H3
InChIKeyACTFNZGQBRSUAL-UHFFFAOYSA-N
XLogP3.64
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone (CID 23582479) is [5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cc2cc(N3CCN(C4CCCC4)CC3)ncc2[nH]1.
What is the InChIKey of [5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is ACTFNZGQBRSUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-17-6-4-5-9-28(17)23(29)20-14-18-15-22(24-16-21(18)25-20)27-12-10-26(11-13-27)19-7-2-3-8-19/h14-17,19,25H,2-13H2,1H3.
What are the key properties of [5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone?
[5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 395.55 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclopentylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 23582479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).