[2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone

C18H23F3N4O — CID 139015193

IUPAC[2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCC(C)CC1(C)CCCN1C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C
InChIInChI=1S/C18H23F3N4O/c1-11(2)9-17(3)6-5-7-25(17)16(26)12-8-13-14(18(19,20)21)23-24(4)15(13)22-10-12/h8,10-11H,5-7,9H2,1-4H3
InChIKeyJAHJIZZKKRTNAA-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.03
Rot. Bonds3

About [2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone

[2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone (PubChem CID 139015193) has the molecular formula C18H23F3N4O and a molecular weight of 368.40 g/mol. Its IUPAC name is [2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
PubChem CID139015193
Molecular FormulaC18H23F3N4O
Molecular Weight368.40 g/mol
Exact Mass368.18
IUPAC Name[2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
SMILESCC(C)CC1(C)CCCN1C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C
InChIInChI=1S/C18H23F3N4O/c1-11(2)9-17(3)6-5-7-25(17)16(26)12-8-13-14(18(19,20)21)23-24(4)15(13)22-10-12/h8,10-11H,5-7,9H2,1-4H3
InChIKeyJAHJIZZKKRTNAA-UHFFFAOYSA-N
XLogP4.03
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The IUPAC name of [2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone (CID 139015193) is [2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone.
What is the SMILES notation for [2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The canonical SMILES for [2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone is CC(C)CC1(C)CCCN1C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C.
What is the InChIKey of [2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
The InChIKey is JAHJIZZKKRTNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O/c1-11(2)9-17(3)6-5-7-25(17)16(26)12-8-13-14(18(19,20)21)23-24(4)15(13)22-10-12/h8,10-11H,5-7,9H2,1-4H3.
What are the key properties of [2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone?
[2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone has a molecular weight of 368.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-methylpropyl)pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-5-yl]methanone is sourced from PubChem (CID 139015193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).