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

C22H22N6O — CID 67521356

IUPAC3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc2c(O)cccc2cn1
InChIInChI=1S/C22H22N6O/c23-22-19(20-9-18-14(10-25-20)2-1-3-21(18)29)8-15(11-26-22)16-12-27-28(13-16)17-4-6-24-7-5-17/h1-3,8-13,17,24,29H,4-7H2,(H2,23,26)
InChIKeyWZNZRSZMYWUGJX-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.37
Rot. Bonds3

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

3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol (PubChem CID 67521356) 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-5-ol.

Molecular Properties

Compound Name3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol
PubChem CID67521356
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc2c(O)cccc2cn1
InChIInChI=1S/C22H22N6O/c23-22-19(20-9-18-14(10-25-20)2-1-3-21(18)29)8-15(11-26-22)16-12-27-28(13-16)17-4-6-24-7-5-17/h1-3,8-13,17,24,29H,4-7H2,(H2,23,26)
InChIKeyWZNZRSZMYWUGJX-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-(5-bromoisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;trihydrochloride
CID 67521182
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-6-ol
CID 136600714
3-(6-fluoroisoquinolin-3-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521365
3-(4-methoxy-1,3-benzothiazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521852
3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521585
3-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 118110200
5-(1-piperidin-4-ylpyrazol-4-yl)-3-(7-pyridin-3-yl-1,3-benzothiazol-2-yl)pyridin-2-amine;dihydrochloride
CID 67521274
tert-butyl 4-[4-[6-amino-5-(8-chloroisoquinolin-3-yl)-3-pyridinyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 67520796
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
3-(4-amino-2-fluorophenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;tert-butyl formate
CID 146424723
3-[(3-fluorophenoxy)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;hydrochloride
CID 118625534

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol?
The IUPAC name of 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol (CID 67521356) is 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol.
What is the SMILES notation for 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol?
The canonical SMILES for 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1cc2c(O)cccc2cn1.
What is the InChIKey of 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol?
The InChIKey is WZNZRSZMYWUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c23-22-19(20-9-18-14(10-25-20)2-1-3-21(18)29)8-15(11-26-22)16-12-27-28(13-16)17-4-6-24-7-5-17/h1-3,8-13,17,24,29H,4-7H2,(H2,23,26).
What are the key properties of 3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol?
3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-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-5-ol is sourced from PubChem (CID 67521356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).