[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C32H35F3N6O2 — CID 118378634

IUPAC[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCC(c3ccn4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)cc4c3)CC2)cn1
InChIInChI=1S/C32H35F3N6O2/c1-43-30-7-4-24(20-36-30)22-38-11-8-25(9-12-38)26-10-13-41-28(18-26)19-29(37-41)31(42)40-16-14-39(15-17-40)21-23-2-5-27(6-3-23)32(33,34)35/h2-7,10,13,18-20,25H,8-9,11-12,14-17,21-22H2,1H3
InChIKeyRDVWCZZSJCEHTP-UHFFFAOYSA-N
MW592.67 g/mol
LogP5.09
Rot. Bonds7

About [5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 118378634) has the molecular formula C32H35F3N6O2 and a molecular weight of 592.67 g/mol. Its IUPAC name is [5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID118378634
Molecular FormulaC32H35F3N6O2
Molecular Weight592.67 g/mol
Exact Mass592.28
IUPAC Name[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCOc1ccc(CN2CCC(c3ccn4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)cc4c3)CC2)cn1
InChIInChI=1S/C32H35F3N6O2/c1-43-30-7-4-24(20-36-30)22-38-11-8-25(9-12-38)26-10-13-41-28(18-26)19-29(37-41)31(42)40-16-14-39(15-17-40)21-23-2-5-27(6-3-23)32(33,34)35/h2-7,10,13,18-20,25H,8-9,11-12,14-17,21-22H2,1H3
InChIKeyRDVWCZZSJCEHTP-UHFFFAOYSA-N
XLogP5.09
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.67
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 118378634) is [5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is COc1ccc(CN2CCC(c3ccn4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)cc4c3)CC2)cn1.
What is the InChIKey of [5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is RDVWCZZSJCEHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F3N6O2/c1-43-30-7-4-24(20-36-30)22-38-11-8-25(9-12-38)26-10-13-41-28(18-26)19-29(37-41)31(42)40-16-14-39(15-17-40)21-23-2-5-27(6-3-23)32(33,34)35/h2-7,10,13,18-20,25H,8-9,11-12,14-17,21-22H2,1H3.
What are the key properties of [5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
[5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 592.67 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 118378634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).