4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

C18H21F3N8 — CID 140943319

IUPAC4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cnn([C@@H]3CCCn4ccnc43)c2C)ncc1C(F)(F)F
InChIInChI=1S/C18H21F3N8/c1-3-22-15-12(18(19,20)21)9-24-17(27-15)26-13-10-25-29(11(13)2)14-5-4-7-28-8-6-23-16(14)28/h6,8-10,14H,3-5,7H2,1-2H3,(H2,22,24,26,27)/t14-/m1/s1
InChIKeyZUOAEQAQTRJZPG-CQSZACIVSA-N
MW406.42 g/mol
LogP3.76
Rot. Bonds5

About 4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 140943319) has the molecular formula C18H21F3N8 and a molecular weight of 406.42 g/mol. Its IUPAC name is 4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID140943319
Molecular FormulaC18H21F3N8
Molecular Weight406.42 g/mol
Exact Mass406.18
IUPAC Name4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cnn([C@@H]3CCCn4ccnc43)c2C)ncc1C(F)(F)F
InChIInChI=1S/C18H21F3N8/c1-3-22-15-12(18(19,20)21)9-24-17(27-15)26-13-10-25-29(11(13)2)14-5-4-7-28-8-6-23-16(14)28/h6,8-10,14H,3-5,7H2,1-2H3,(H2,22,24,26,27)/t14-/m1/s1
InChIKeyZUOAEQAQTRJZPG-CQSZACIVSA-N
XLogP3.76
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

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
4-N-methyl-2-N-(3-methyl-1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69281529

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 140943319) is 4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is CCNc1nc(Nc2cnn([C@@H]3CCCn4ccnc43)c2C)ncc1C(F)(F)F.
What is the InChIKey of 4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is ZUOAEQAQTRJZPG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21F3N8/c1-3-22-15-12(18(19,20)21)9-24-17(27-15)26-13-10-25-29(11(13)2)14-5-4-7-28-8-6-23-16(14)28/h6,8-10,14H,3-5,7H2,1-2H3,(H2,22,24,26,27)/t14-/m1/s1.
What are the key properties of 4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 406.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-[5-methyl-1-[(8R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 140943319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).