2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine

C26H29F4N9O2S — CID 175837883

IUPAC2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine
SMILESCn1nc(C2=CNC(N)(c3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)C=C2NC2CCC(F)CC2)cc1C(F)(F)F
InChIInChI=1S/C26H29F4N9O2S/c1-38-23(26(28,29)30)10-20(37-38)19-13-33-25(31,11-21(19)35-17-4-2-16(27)3-5-17)22-8-9-32-24(36-22)15-12-34-39(14-15)42(40,41)18-6-7-18/h8-14,16-18,33,35H,2-7,31H2,1H3
InChIKeyBUNSAWGUEMGVAD-UHFFFAOYSA-N
MW607.64 g/mol
LogP2.94
Rot. Bonds7

About 2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine

2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine (PubChem CID 175837883) has the molecular formula C26H29F4N9O2S and a molecular weight of 607.64 g/mol. Its IUPAC name is 2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine.

Molecular Properties

Compound Name2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine
PubChem CID175837883
Molecular FormulaC26H29F4N9O2S
Molecular Weight607.64 g/mol
Exact Mass607.21
IUPAC Name2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine
SMILESCn1nc(C2=CNC(N)(c3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)C=C2NC2CCC(F)CC2)cc1C(F)(F)F
InChIInChI=1S/C26H29F4N9O2S/c1-38-23(26(28,29)30)10-20(37-38)19-13-33-25(31,11-21(19)35-17-4-2-16(27)3-5-17)22-8-9-32-24(36-22)15-12-34-39(14-15)42(40,41)18-6-7-18/h8-14,16-18,33,35H,2-7,31H2,1H3
InChIKeyBUNSAWGUEMGVAD-UHFFFAOYSA-N
XLogP2.94
TPSA145.64 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.64
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine 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 2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine?
The IUPAC name of 2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine (CID 175837883) is 2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine.
What is the SMILES notation for 2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine?
The canonical SMILES for 2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine is Cn1nc(C2=CNC(N)(c3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)C=C2NC2CCC(F)CC2)cc1C(F)(F)F.
What is the InChIKey of 2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine?
The InChIKey is BUNSAWGUEMGVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F4N9O2S/c1-38-23(26(28,29)30)10-20(37-38)19-13-33-25(31,11-21(19)35-17-4-2-16(27)3-5-17)22-8-9-32-24(36-22)15-12-34-39(14-15)42(40,41)18-6-7-18/h8-14,16-18,33,35H,2-7,31H2,1H3.
What are the key properties of 2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine?
2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine has a molecular weight of 607.64 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-4-N-(4-fluorocyclohexyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-pyridine-2,4-diamine is sourced from PubChem (CID 175837883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).