3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole

C20H25N5O — CID 90400782

IUPAC3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCN(C)CC4)c3)c2c1
InChIInChI=1S/C20H25N5O/c1-14(2)26-16-4-5-18-17(13-16)20(23-22-18)15-6-7-21-19(12-15)25-10-8-24(3)9-11-25/h4-7,12-14H,8-11H2,1-3H3,(H,22,23)
InChIKeyWMIJTBQNMQKKOA-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.16
Rot. Bonds4

About 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole

3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole (PubChem CID 90400782) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
PubChem CID90400782
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCN(C)CC4)c3)c2c1
InChIInChI=1S/C20H25N5O/c1-14(2)26-16-4-5-18-17(13-16)20(23-22-18)15-6-7-21-19(12-15)25-10-8-24(3)9-11-25/h4-7,12-14H,8-11H2,1-3H3,(H,22,23)
InChIKeyWMIJTBQNMQKKOA-UHFFFAOYSA-N
XLogP3.16
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
MLi-2
CID 78319901
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
Pyrazole, 16
CID 11567059
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[[(6S)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 56970264
N-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]-5-[[(6R)-6-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]oxy]indole-1-carboxamide
CID 59394091
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394170
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
CID 59394180
1-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 71555167

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole (CID 90400782) is 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole is CC(C)Oc1ccc2[nH]nc(-c3ccnc(N4CCN(C)CC4)c3)c2c1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole?
The InChIKey is WMIJTBQNMQKKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-14(2)26-16-4-5-18-17(13-16)20(23-22-18)15-6-7-21-19(12-15)25-10-8-24(3)9-11-25/h4-7,12-14H,8-11H2,1-3H3,(H,22,23).
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole?
3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole has a molecular weight of 351.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-propan-2-yloxy-1H-indazole is sourced from PubChem (CID 90400782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).