N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)

C22H26F6N8O4 — CID 155866589

IUPACN-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCCn1cc(CN2Cc3ncn(C)c3CC2CNc2ncccn2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N8.2C2HF3O2/c1-3-26-11-14(8-23-26)10-25-12-16-17(24(2)13-22-16)7-15(25)9-21-18-19-5-4-6-20-18;2*3-2(4,5)1(6)7/h4-6,8,11,13,15H,3,7,9-10,12H2,1-2H3,(H,19,20,21);2*(H,6,7)
InChIKeyUGUWYWGYWKBBHQ-UHFFFAOYSA-N
MW580.49 g/mol
LogP2.73
Rot. Bonds6

About N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)

N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155866589) has the molecular formula C22H26F6N8O4 and a molecular weight of 580.49 g/mol. Its IUPAC name is N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155866589
Molecular FormulaC22H26F6N8O4
Molecular Weight580.49 g/mol
Exact Mass580.20
IUPAC NameN-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCCn1cc(CN2Cc3ncn(C)c3CC2CNc2ncccn2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N8.2C2HF3O2/c1-3-26-11-14(8-23-26)10-25-12-16-17(24(2)13-22-16)7-15(25)9-21-18-19-5-4-6-20-18;2*3-2(4,5)1(6)7/h4-6,8,11,13,15H,3,7,9-10,12H2,1-2H3,(H,19,20,21);2*(H,6,7)
InChIKeyUGUWYWGYWKBBHQ-UHFFFAOYSA-N
XLogP2.73
TPSA151.29 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.49
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

US20250352549, Example 25
CID 178184741
8-methyl-3-(pyrazol-1-ylmethyl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746031
1-methyl-N-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrazole-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 118746438
8-methyl-3-(pyrazol-1-ylmethyl)-7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746561
N-[(6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine;tris(2,2,2-trifluoroacetic acid)
CID 118747006
7-[(6-methyl-2-pyridinyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747128
2-(3-amino-4,4-difluoropiperidin-1-yl)-N-[1-methyl-3-(1,1,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 134263316
4-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 172780976
5-(2-Methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136847605
7-(2-Methylpyrazol-3-yl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136847606
2-[4-[4-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)triazol-1-yl]piperidin-1-yl]-N-methylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 154885437
4-(1,3-dimethylpyrazol-4-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 154888583

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid) (CID 155866589) is N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid) is CCn1cc(CN2Cc3ncn(C)c3CC2CNc2ncccn2)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is UGUWYWGYWKBBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8.2C2HF3O2/c1-3-26-11-14(8-23-26)10-25-12-16-17(24(2)13-22-16)7-15(25)9-21-18-19-5-4-6-20-18;2*3-2(4,5)1(6)7/h4-6,8,11,13,15H,3,7,9-10,12H2,1-2H3,(H,19,20,21);2*(H,6,7).
What are the key properties of N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)?
N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 580.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]pyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155866589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).