2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride

C19H25Cl2N7O — CID 155287252

IUPAC2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride
SMILESCC(C)[C@H]1CN(c2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)CCN1.Cl.Cl
InChIInChI=1S/C19H23N7O.2ClH/c1-12(2)16-11-26(6-5-20-16)18-4-3-15(24-25-18)19-17(27)7-13(8-21-19)14-9-22-23-10-14;;/h3-4,7-10,12,16,20,27H,5-6,11H2,1-2H3,(H,22,23);2*1H/t16-;;/m1../s1
InChIKeyWVWAVCPWMCZACN-GGMCWBHBSA-N
MW438.36 g/mol
LogP2.91
Rot. Bonds4

About 2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride

2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride (PubChem CID 155287252) has the molecular formula C19H25Cl2N7O and a molecular weight of 438.36 g/mol. Its IUPAC name is 2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride.

Molecular Properties

Compound Name2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride
PubChem CID155287252
Molecular FormulaC19H25Cl2N7O
Molecular Weight438.36 g/mol
Exact Mass437.15
IUPAC Name2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride
SMILESCC(C)[C@H]1CN(c2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)CCN1.Cl.Cl
InChIInChI=1S/C19H23N7O.2ClH/c1-12(2)16-11-26(6-5-20-16)18-4-3-15(24-25-18)19-17(27)7-13(8-21-19)14-9-22-23-10-14;;/h3-4,7-10,12,16,20,27H,5-6,11H2,1-2H3,(H,22,23);2*1H/t16-;;/m1../s1
InChIKeyWVWAVCPWMCZACN-GGMCWBHBSA-N
XLogP2.91
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride?
The IUPAC name of 2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride (CID 155287252) is 2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride.
What is the SMILES notation for 2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride?
The canonical SMILES for 2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride is CC(C)[C@H]1CN(c2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)CCN1.Cl.Cl.
What is the InChIKey of 2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride?
The InChIKey is WVWAVCPWMCZACN-GGMCWBHBSA-N. The full InChI is InChI=1S/C19H23N7O.2ClH/c1-12(2)16-11-26(6-5-20-16)18-4-3-15(24-25-18)19-17(27)7-13(8-21-19)14-9-22-23-10-14;;/h3-4,7-10,12,16,20,27H,5-6,11H2,1-2H3,(H,22,23);2*1H/t16-;;/m1../s1.
What are the key properties of 2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride?
2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride has a molecular weight of 438.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;dihydrochloride is sourced from PubChem (CID 155287252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).