1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine

C23H25F3N8O — CID 86707172

IUPAC1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine
SMILESCO[C@@]1(C)CNCCN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1
InChIInChI=1S/C23H25F3N8O/c1-22(35-2)13-27-6-7-32(14-22)20-4-3-5-21(31-20)34-19-8-18(28-9-16(19)10-30-34)17-11-29-33(12-17)15-23(24,25)26/h3-5,8-12,27H,6-7,13-15H2,1-2H3/t22-/m0/s1
InChIKeyNUMGAHMZNWRORP-QFIPXVFZSA-N
MW486.50 g/mol
LogP3.06
Rot. Bonds5

About 1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine

1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine (PubChem CID 86707172) has the molecular formula C23H25F3N8O and a molecular weight of 486.50 g/mol. Its IUPAC name is 1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine
PubChem CID86707172
Molecular FormulaC23H25F3N8O
Molecular Weight486.50 g/mol
Exact Mass486.21
IUPAC Name1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine
SMILESCO[C@@]1(C)CNCCN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1
InChIInChI=1S/C23H25F3N8O/c1-22(35-2)13-27-6-7-32(14-22)20-4-3-5-21(31-20)34-19-8-18(28-9-16(19)10-30-34)17-11-29-33(12-17)15-23(24,25)26/h3-5,8-12,27H,6-7,13-15H2,1-2H3/t22-/m0/s1
InChIKeyNUMGAHMZNWRORP-QFIPXVFZSA-N
XLogP3.06
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
3-ethyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11554196
5-(1,4-diazepan-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)-1H-pyrazolo[4,3-d]pyrimidin-7-amine
CID 11690391
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
1-[6-(1,4-Diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine
CID 72715291
(3R)-3-methyl-4-[1-methyl-6-(1H-pyrrolo[2,3-d]pyridazin-4-yl)imidazo[4,5-c]pyridin-4-yl]morpholine
CID 118720891
1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N7-(4-methylpyridin-2-yl)-N5-(pyrrolidin-3-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 46888631
3-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 122196350
1-[6-(1,4-Diazepan-1-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,5-b]pyridine
CID 137643257
Tdr79432
CID 7216437
3-[2-(Cyclopentylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazolo[1,5-alpha]pyridin-5-amine
CID 10297402
N5-(2-aminoethyl)-3-ethyl-N7-(pyrimidin-4-yl)-1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
CID 11582654

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine (CID 86707172) is 1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine is CO[C@@]1(C)CNCCN(c2cccc(-n3ncc4cnc(-c5cnn(CC(F)(F)F)c5)cc43)n2)C1.
What is the InChIKey of 1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine?
The InChIKey is NUMGAHMZNWRORP-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25F3N8O/c1-22(35-2)13-27-6-7-32(14-22)20-4-3-5-21(31-20)34-19-8-18(28-9-16(19)10-30-34)17-11-29-33(12-17)15-23(24,25)26/h3-5,8-12,27H,6-7,13-15H2,1-2H3/t22-/m0/s1.
What are the key properties of 1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine?
1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine has a molecular weight of 486.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(6S)-6-methoxy-6-methyl-1,4-diazepan-1-yl]-2-pyridinyl]-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 86707172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).