7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine

C32H32N8 — CID 130431181

IUPAC7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCCc2cccc3ccccc23)c2cnn(Cc3ccc4c(c3)CCNC4)c2)c2n[nH]nc2n1
InChIInChI=1S/C32H32N8/c33-30-16-29(31-32(36-30)38-39-37-31)28(10-4-8-23-7-3-6-22-5-1-2-9-27(22)23)26-18-35-40(20-26)19-21-11-12-25-17-34-14-13-24(25)15-21/h1-3,5-7,9,11-12,15-16,18,20,28,34H,4,8,10,13-14,17,19H2,(H3,33,36,37,38,39)
InChIKeyNUOGSHHZJYQUOC-UHFFFAOYSA-N
MW528.66 g/mol
LogP5.13
Rot. Bonds8

About 7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130431181) has the molecular formula C32H32N8 and a molecular weight of 528.66 g/mol. Its IUPAC name is 7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130431181
Molecular FormulaC32H32N8
Molecular Weight528.66 g/mol
Exact Mass528.27
IUPAC Name7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCCc2cccc3ccccc23)c2cnn(Cc3ccc4c(c3)CCNC4)c2)c2n[nH]nc2n1
InChIInChI=1S/C32H32N8/c33-30-16-29(31-32(36-30)38-39-37-31)28(10-4-8-23-7-3-6-22-5-1-2-9-27(22)23)26-18-35-40(20-26)19-21-11-12-25-17-34-14-13-24(25)15-21/h1-3,5-7,9,11-12,15-16,18,20,28,34H,4,8,10,13-14,17,19H2,(H3,33,36,37,38,39)
InChIKeyNUOGSHHZJYQUOC-UHFFFAOYSA-N
XLogP5.13
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

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9-[1-({4-[3-phenyl-5-(1H-1,2,3,4-tetrazol-5-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-9H-purin-6-amine
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N-methyl-6-phenyl-7-[4-({4-[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
CID 11664023
Aminoquinazoline, 19
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6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
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kinase inhibitor 2 [PMID: 30199702]
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CID 11204498
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Frequently Asked Questions

What is the IUPAC name of 7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130431181) is 7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCCc2cccc3ccccc23)c2cnn(Cc3ccc4c(c3)CCNC4)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is NUOGSHHZJYQUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8/c33-30-16-29(31-32(36-30)38-39-37-31)28(10-4-8-23-7-3-6-22-5-1-2-9-27(22)23)26-18-35-40(20-26)19-21-11-12-25-17-34-14-13-24(25)15-21/h1-3,5-7,9,11-12,15-16,18,20,28,34H,4,8,10,13-14,17,19H2,(H3,33,36,37,38,39).
What are the key properties of 7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 528.66 g/mol, XLogP of 5.13, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-naphthalen-1-yl-1-[1-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)pyrazol-4-yl]butyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130431181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).