1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine

C20H27F3N8 — CID 78054660

IUPAC1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine
SMILESCn1cc(C2CC3C(CN2)NNC3c2cccc(N3CCC(N)(C(F)(F)F)C3)n2)cn1
InChIInChI=1S/C20H27F3N8/c1-30-10-12(8-26-30)15-7-13-16(9-25-15)28-29-18(13)14-3-2-4-17(27-14)31-6-5-19(24,11-31)20(21,22)23/h2-4,8,10,13,15-16,18,25,28-29H,5-7,9,11,24H2,1H3
InChIKeyMEUCXSVOZKVPAT-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.15
Rot. Bonds3

About 1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine

1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 78054660) has the molecular formula C20H27F3N8 and a molecular weight of 436.49 g/mol. Its IUPAC name is 1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID78054660
Molecular FormulaC20H27F3N8
Molecular Weight436.49 g/mol
Exact Mass436.23
IUPAC Name1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine
SMILESCn1cc(C2CC3C(CN2)NNC3c2cccc(N3CCC(N)(C(F)(F)F)C3)n2)cn1
InChIInChI=1S/C20H27F3N8/c1-30-10-12(8-26-30)15-7-13-16(9-25-15)28-29-18(13)14-3-2-4-17(27-14)31-6-5-19(24,11-31)20(21,22)23/h2-4,8,10,13,15-16,18,25,28-29H,5-7,9,11,24H2,1H3
InChIKeyMEUCXSVOZKVPAT-UHFFFAOYSA-N
XLogP1.15
TPSA96.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
(3S)-1-[3-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 71253383
5-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253391
5-(1-ethylpyrazol-4-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253671
5-(1-methyl-1H-pyrazol-4-yl)-3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253734
(S)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253771
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253835
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)pyrrolidin-3-amine
CID 71253906
5-(1-ethylpyrazol-4-yl)-3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253958
5-[5-(1-methylpiperidin-4-yl)-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 76685062
5-[5-[(1S,5R)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90292674
Arylpyrazole, 23
CID 44143423

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of 1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine (CID 78054660) is 1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine is Cn1cc(C2CC3C(CN2)NNC3c2cccc(N3CCC(N)(C(F)(F)F)C3)n2)cn1.
What is the InChIKey of 1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is MEUCXSVOZKVPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N8/c1-30-10-12(8-26-30)15-7-13-16(9-25-15)28-29-18(13)14-3-2-4-17(27-14)31-6-5-19(24,11-31)20(21,22)23/h2-4,8,10,13,15-16,18,25,28-29H,5-7,9,11,24H2,1H3.
What are the key properties of 1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine?
1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 436.49 g/mol, XLogP of 1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 78054660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).