7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride

C23H27ClN8 — CID 118497502

IUPAC7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc3n2)c1.Cl
InChIInChI=1S/C23H26N8.ClH/c1-15(2)16-10-23(30-26-12-16)29-22-4-3-20-21(28-22)9-17(11-25-20)18-13-27-31(14-18)19-5-7-24-8-6-19;/h3-4,9-15,19,24H,5-8H2,1-2H3,(H,28,29,30);1H
InChIKeyIGWHYZAYMJUSJP-UHFFFAOYSA-N
MW450.98 g/mol
LogP4.50
Rot. Bonds5

About 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride

7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride (PubChem CID 118497502) has the molecular formula C23H27ClN8 and a molecular weight of 450.98 g/mol. Its IUPAC name is 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride
PubChem CID118497502
Molecular FormulaC23H27ClN8
Molecular Weight450.98 g/mol
Exact Mass450.20
IUPAC Name7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc3n2)c1.Cl
InChIInChI=1S/C23H26N8.ClH/c1-15(2)16-10-23(30-26-12-16)29-22-4-3-20-21(28-22)9-17(11-25-20)18-13-27-31(14-18)19-5-7-24-8-6-19;/h3-4,9-15,19,24H,5-8H2,1-2H3,(H,28,29,30);1H
InChIKeyIGWHYZAYMJUSJP-UHFFFAOYSA-N
XLogP4.50
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.98
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidine-1-carboxylate;7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 157228679
7-[1-(2-piperidin-4-ylethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90288411
2-[4-[4-(6-chloro-1,5-naphthyridin-3-yl)pyrazol-1-yl]piperidin-1-yl]ethanol;2-[4-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]ethanol
CID 158335171
7-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 118510149
N-(5-propan-2-ylpyridazin-3-yl)-7-[1-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]pyrazol-4-yl]-1,5-naphthyridin-2-amine
CID 90289160
N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
CID 90288531
7-[1-[2-methoxy-3-(3-methylazetidin-1-yl)propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 118504291
N-propan-2-yl-4-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidine-1-carboxamide
CID 118504146
7-[1-(methoxymethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[1-(2-methoxypropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 160824198
7-[1-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90289058
[5-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]-2-pyridinyl]methanol
CID 118504052
1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone
CID 118504159

Frequently Asked Questions

What is the IUPAC name of 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride?
The IUPAC name of 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride (CID 118497502) is 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride.
What is the SMILES notation for 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride?
The canonical SMILES for 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(C5CCNCC5)c4)cc3n2)c1.Cl.
What is the InChIKey of 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride?
The InChIKey is IGWHYZAYMJUSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8.ClH/c1-15(2)16-10-23(30-26-12-16)29-22-4-3-20-21(28-22)9-17(11-25-20)18-13-27-31(14-18)19-5-7-24-8-6-19;/h3-4,9-15,19,24H,5-8H2,1-2H3,(H,28,29,30);1H.
What are the key properties of 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride?
7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride has a molecular weight of 450.98 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;hydrochloride is sourced from PubChem (CID 118497502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).