N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C18H23F3N6O2S — CID 126890833

IUPACN-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC2)CC1
InChIInChI=1S/C18H23F3N6O2S/c1-11-17(12(2)25-24-11)30(28,29)26-7-5-14(6-8-26)27(13-3-4-13)16-9-15(18(19,20)21)22-10-23-16/h9-10,13-14H,3-8H2,1-2H3,(H,24,25)
InChIKeyUKXUWCYTYYFWIZ-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.66
Rot. Bonds5

About N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890833) has the molecular formula C18H23F3N6O2S and a molecular weight of 444.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126890833
Molecular FormulaC18H23F3N6O2S
Molecular Weight444.48 g/mol
Exact Mass444.16
IUPAC NameN-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC2)CC1
InChIInChI=1S/C18H23F3N6O2S/c1-11-17(12(2)25-24-11)30(28,29)26-7-5-14(6-8-26)27(13-3-4-13)16-9-15(18(19,20)21)22-10-23-16/h9-10,13-14H,3-8H2,1-2H3,(H,24,25)
InChIKeyUKXUWCYTYYFWIZ-UHFFFAOYSA-N
XLogP2.66
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine 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 N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890833) is N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is UKXUWCYTYYFWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O2S/c1-11-17(12(2)25-24-11)30(28,29)26-7-5-14(6-8-26)27(13-3-4-13)16-9-15(18(19,20)21)22-10-23-16/h9-10,13-14H,3-8H2,1-2H3,(H,24,25).
What are the key properties of N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 444.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126890833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).