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

C21H29N7 — CID 123132992

IUPACN-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine
SMILESc1cncc(C2CC3C(CN2)NNC3c2cncc(NC3CCNCC3)c2)c1
InChIInChI=1S/C21H29N7/c1-2-14(10-23-5-1)19-9-18-20(13-25-19)27-28-21(18)15-8-17(12-24-11-15)26-16-3-6-22-7-4-16/h1-2,5,8,10-12,16,18-22,25-28H,3-4,6-7,9,13H2
InChIKeySBPZHLJKEPWJBJ-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.51
Rot. Bonds4

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

N-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine (PubChem CID 123132992) has the molecular formula C21H29N7 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine
PubChem CID123132992
Molecular FormulaC21H29N7
Molecular Weight379.51 g/mol
Exact Mass379.25
IUPAC NameN-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine
SMILESc1cncc(C2CC3C(CN2)NNC3c2cncc(NC3CCNCC3)c2)c1
InChIInChI=1S/C21H29N7/c1-2-14(10-23-5-1)19-9-18-20(13-25-19)27-28-21(18)15-8-17(12-24-11-15)26-16-3-6-22-7-4-16/h1-2,5,8,10-12,16,18-22,25-28H,3-4,6-7,9,13H2
InChIKeySBPZHLJKEPWJBJ-UHFFFAOYSA-N
XLogP1.51
TPSA85.93 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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

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Related Compounds

3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054676
N-(2-aminoethyl)-6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridine-2-carboxamide
CID 123133114
4-fluoro-1-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-ol
CID 123133178
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
(3S)-1-[3-methyl-6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 123133106
3-piperidin-4-ylpyridine;dihydrochloride
CID 21192973
5-(piperidin-4-ylamino)pyridine-3-carbonitrile
CID 171495564
N-[(1R,2S)-2-pyridin-3-ylcyclopropyl]piperidin-4-amine
CID 71522236
(4S)-1-[3-bromo-6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]azepan-4-amine
CID 123133101
(2S)-1-[6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 123133125
(3R)-1-[3-bromo-6-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
CID 123133080
N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 138961918

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine?
The IUPAC name of N-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine (CID 123132992) is N-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine.
What is the SMILES notation for N-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine?
The canonical SMILES for N-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine is c1cncc(C2CC3C(CN2)NNC3c2cncc(NC3CCNCC3)c2)c1.
What is the InChIKey of N-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine?
The InChIKey is SBPZHLJKEPWJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7/c1-2-14(10-23-5-1)19-9-18-20(13-25-19)27-28-21(18)15-8-17(12-24-11-15)26-16-3-6-22-7-4-16/h1-2,5,8,10-12,16,18-22,25-28H,3-4,6-7,9,13H2.
What are the key properties of N-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine?
N-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine has a molecular weight of 379.51 g/mol, XLogP of 1.51, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-5-(5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-3-amine is sourced from PubChem (CID 123132992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).