4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C17H20F3N9 — CID 135375067

IUPAC4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C3CCc4nnc(C)n4C3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C17H20F3N9/c1-9-13(23-16-22-6-12(17(18,19)20)15(21-3)24-16)8-29(27-9)11-4-5-14-26-25-10(2)28(14)7-11/h6,8,11H,4-5,7H2,1-3H3,(H2,21,22,23,24)
InChIKeyGEOROIJJBGHBNQ-UHFFFAOYSA-N
MW407.40 g/mol
LogP2.87
Rot. Bonds4

About 4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 135375067) has the molecular formula C17H20F3N9 and a molecular weight of 407.40 g/mol. Its IUPAC name is 4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID135375067
Molecular FormulaC17H20F3N9
Molecular Weight407.40 g/mol
Exact Mass407.18
IUPAC Name4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C3CCc4nnc(C)n4C3)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C17H20F3N9/c1-9-13(23-16-22-6-12(17(18,19)20)15(21-3)24-16)8-29(27-9)11-4-5-14-26-25-10(2)28(14)7-11/h6,8,11H,4-5,7H2,1-3H3,(H2,21,22,23,24)
InChIKeyGEOROIJJBGHBNQ-UHFFFAOYSA-N
XLogP2.87
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181640
5-[(5R)-5-amino-3,3-difluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181645
(R)-5-(5-Amino-3,3-difluoropiperidin-1-yl)-N-(3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181674
5-[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181675
5-[(3S,4S)-3-amino-4-fluoropiperidin-1-yl]-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181676
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196169
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122196173
US10329294, Example 90
CID 122516506
N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 66549112
2-N-(1-ethyl-3-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67988921
4-N-methyl-2-N-(5-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093006
4-N-methyl-2-N-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093113

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 135375067) is 4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cn(C3CCc4nnc(C)n4C3)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is GEOROIJJBGHBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N9/c1-9-13(23-16-22-6-12(17(18,19)20)15(21-3)24-16)8-29(27-9)11-4-5-14-26-25-10(2)28(14)7-11/h6,8,11H,4-5,7H2,1-3H3,(H2,21,22,23,24).
What are the key properties of 4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 407.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-[3-methyl-1-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 135375067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).