N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine

C21H21F3N8O2S — CID 118661758

IUPACN-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine
SMILESCC(C)n1c(CC(F)(F)F)nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21
InChIInChI=1S/C21H21F3N8O2S/c1-12(2)32-16-7-18(26-10-15(16)28-19(32)8-21(22,23)24)29-17-5-6-25-20(30-17)13-9-27-31(11-13)35(33,34)14-3-4-14/h5-7,9-12,14H,3-4,8H2,1-2H3,(H,25,26,29,30)
InChIKeyBHAAPOYRZOPPSP-UHFFFAOYSA-N
MW506.51 g/mol
LogP3.85
Rot. Bonds7

About N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine

N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine (PubChem CID 118661758) has the molecular formula C21H21F3N8O2S and a molecular weight of 506.51 g/mol. Its IUPAC name is N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine
PubChem CID118661758
Molecular FormulaC21H21F3N8O2S
Molecular Weight506.51 g/mol
Exact Mass506.15
IUPAC NameN-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine
SMILESCC(C)n1c(CC(F)(F)F)nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21
InChIInChI=1S/C21H21F3N8O2S/c1-12(2)32-16-7-18(26-10-15(16)28-19(32)8-21(22,23)24)29-17-5-6-25-20(30-17)13-9-27-31(11-13)35(33,34)14-3-4-14/h5-7,9-12,14H,3-4,8H2,1-2H3,(H,25,26,29,30)
InChIKeyBHAAPOYRZOPPSP-UHFFFAOYSA-N
XLogP3.85
TPSA120.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine (CID 118661758) is N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine is CC(C)n1c(CC(F)(F)F)nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc21.
What is the InChIKey of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine?
The InChIKey is BHAAPOYRZOPPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N8O2S/c1-12(2)32-16-7-18(26-10-15(16)28-19(32)8-21(22,23)24)29-17-5-6-25-20(30-17)13-9-27-31(11-13)35(33,34)14-3-4-14/h5-7,9-12,14H,3-4,8H2,1-2H3,(H,25,26,29,30).
What are the key properties of N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine?
N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine has a molecular weight of 506.51 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-1-propan-2-yl-2-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 118661758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).