[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone

C20H24F2N4O — CID 57400054

IUPAC[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCCC2)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H24F2N4O/c21-16-5-4-15(18(22)13-16)6-8-24-9-11-25(12-10-24)20(27)19-14-17-3-1-2-7-26(17)23-19/h4-5,13-14H,1-3,6-12H2
InChIKeyQPAMQUMOGYCOTO-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.50
Rot. Bonds4

About [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone

[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone (PubChem CID 57400054) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone
PubChem CID57400054
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC Name[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESO=C(c1cc2n(n1)CCCC2)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H24F2N4O/c21-16-5-4-15(18(22)13-16)6-8-24-9-11-25(12-10-24)20(27)19-14-17-3-1-2-7-26(17)23-19/h4-5,13-14H,1-3,6-12H2
InChIKeyQPAMQUMOGYCOTO-UHFFFAOYSA-N
XLogP2.50
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone?
The IUPAC name of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone (CID 57400054) is [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone.
What is the SMILES notation for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone?
The canonical SMILES for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone is O=C(c1cc2n(n1)CCCC2)N1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone?
The InChIKey is QPAMQUMOGYCOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O/c21-16-5-4-15(18(22)13-16)6-8-24-9-11-25(12-10-24)20(27)19-14-17-3-1-2-7-26(17)23-19/h4-5,13-14H,1-3,6-12H2.
What are the key properties of [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone?
[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)methanone is sourced from PubChem (CID 57400054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).