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

C21H31FN8 — CID 78054563

IUPAC1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine
SMILESCCn1cc(C2CC3C(CN2)NNC3c2cccc(N3CCC(F)C(N)C3)n2)cn1
InChIInChI=1S/C21H31FN8/c1-2-30-11-13(9-25-30)18-8-14-19(10-24-18)27-28-21(14)17-4-3-5-20(26-17)29-7-6-15(22)16(23)12-29/h3-5,9,11,14-16,18-19,21,24,27-28H,2,6-8,10,12,23H2,1H3
InChIKeyOTACBUDSTALGMQ-UHFFFAOYSA-N
MW414.53 g/mol
LogP1.04
Rot. Bonds4

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

1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine (PubChem CID 78054563) has the molecular formula C21H31FN8 and a molecular weight of 414.53 g/mol. Its IUPAC name is 1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine.

Molecular Properties

Compound Name1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine
PubChem CID78054563
Molecular FormulaC21H31FN8
Molecular Weight414.53 g/mol
Exact Mass414.27
IUPAC Name1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine
SMILESCCn1cc(C2CC3C(CN2)NNC3c2cccc(N3CCC(F)C(N)C3)n2)cn1
InChIInChI=1S/C21H31FN8/c1-2-30-11-13(9-25-30)18-8-14-19(10-24-18)27-28-21(14)17-4-3-5-20(26-17)29-7-6-15(22)16(23)12-29/h3-5,9,11,14-16,18-19,21,24,27-28H,2,6-8,10,12,23H2,1H3
InChIKeyOTACBUDSTALGMQ-UHFFFAOYSA-N
XLogP1.04
TPSA96.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

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1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146680833
5-fluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine
CID 146681117
4-[3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(1-Methylpiperidin-4-Yl)pyrimidin-2-Amine
CID 49800099
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1-(Propan-2-Yl)-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 86278566
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 86278567
US20230339900, Example 20
CID 162761031
N-ethyl-6-[1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
CID 89914090
(R)-3-(6-(1-(4-fluorophenyl)-2-methylpropylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159001
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine?
The IUPAC name of 1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine (CID 78054563) is 1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine.
What is the SMILES notation for 1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine?
The canonical SMILES for 1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine is CCn1cc(C2CC3C(CN2)NNC3c2cccc(N3CCC(F)C(N)C3)n2)cn1.
What is the InChIKey of 1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine?
The InChIKey is OTACBUDSTALGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN8/c1-2-30-11-13(9-25-30)18-8-14-19(10-24-18)27-28-21(14)17-4-3-5-20(26-17)29-7-6-15(22)16(23)12-29/h3-5,9,11,14-16,18-19,21,24,27-28H,2,6-8,10,12,23H2,1H3.
What are the key properties of 1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine?
1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine has a molecular weight of 414.53 g/mol, XLogP of 1.04, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-4-fluoropiperidin-3-amine is sourced from PubChem (CID 78054563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).