3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol

C22H22N6O — CID 136600714

IUPAC3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc2cc(O)ccc2cn1
InChIInChI=1S/C22H22N6O/c23-22-20(21-9-15-7-19(29)2-1-14(15)10-25-21)8-16(11-26-22)17-12-27-28(13-17)18-3-5-24-6-4-18/h1-2,7-13,18,24,29H,3-6H2,(H2,23,26)
InChIKeyFSDRFPRXFMMUCS-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.37
Rot. Bonds3

About 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol

3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol (PubChem CID 136600714) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol.

Molecular Properties

Compound Name3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol
PubChem CID136600714
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc2cc(O)ccc2cn1
InChIInChI=1S/C22H22N6O/c23-22-20(21-9-15-7-19(29)2-1-14(15)10-25-21)8-16(11-26-22)17-12-27-28(13-17)18-3-5-24-6-4-18/h1-2,7-13,18,24,29H,3-6H2,(H2,23,26)
InChIKeyFSDRFPRXFMMUCS-UHFFFAOYSA-N
XLogP3.37
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521365
3-isoquinolin-3-yl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;trihydrochloride
CID 67520854
3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol
CID 67521356
3-(5-bromoisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;trihydrochloride
CID 67521182
4-[4-[6-amino-5-(7-bromoisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylic acid
CID 154356739
3-[2-amino-5-(5-piperidin-4-yl-1H-pyrazol-4-yl)-3-pyridinyl]isoquinolin-7-ol
CID 68788435
tert-butyl 4-[4-[6-amino-5-[6-(trifluoromethyl)isoquinolin-3-yl]-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67521285
6-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-3,5-dihydro-1H-imidazo[4,5-f]benzimidazol-2-one
CID 50923878
5-(1-piperidin-4-ylpyrazol-4-yl)-3-(7-pyridin-3-yl-1,3-benzothiazol-2-yl)pyridin-2-amine;dihydrochloride
CID 67521274
3-(4-methoxy-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521852
3-[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 118110202
3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521585

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol?
The IUPAC name of 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol (CID 136600714) is 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol.
What is the SMILES notation for 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol?
The canonical SMILES for 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc2cc(O)ccc2cn1.
What is the InChIKey of 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol?
The InChIKey is FSDRFPRXFMMUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-22-20(21-9-15-7-19(29)2-1-14(15)10-25-21)8-16(11-26-22)17-12-27-28(13-17)18-3-5-24-6-4-18/h1-2,7-13,18,24,29H,3-6H2,(H2,23,26).
What are the key properties of 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol?
3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol has a molecular weight of 386.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-6-ol is sourced from PubChem (CID 136600714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).