5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole

C24H27N7O — CID 78322153

IUPAC5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
SMILESCOc1ccncc1-c1ccc2[nH]nc(-c3cc(N4CCN(C(C)C)CC4)ncn3)c2c1
InChIInChI=1S/C24H27N7O/c1-16(2)30-8-10-31(11-9-30)23-13-21(26-15-27-23)24-18-12-17(4-5-20(18)28-29-24)19-14-25-7-6-22(19)32-3/h4-7,12-16H,8-11H2,1-3H3,(H,28,29)
InChIKeyOKWDSKOHFZQLEU-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.62
Rot. Bonds5

About 5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole

5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole (PubChem CID 78322153) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
PubChem CID78322153
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
SMILESCOc1ccncc1-c1ccc2[nH]nc(-c3cc(N4CCN(C(C)C)CC4)ncn3)c2c1
InChIInChI=1S/C24H27N7O/c1-16(2)30-8-10-31(11-9-30)23-13-21(26-15-27-23)24-18-12-17(4-5-20(18)28-29-24)19-14-25-7-6-22(19)32-3/h4-7,12-16H,8-11H2,1-3H3,(H,28,29)
InChIKeyOKWDSKOHFZQLEU-UHFFFAOYSA-N
XLogP3.62
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
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
5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
Pdgfr-IN-1
CID 156704693
4-N-(1H-indazol-6-yl)-2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 156704697
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 57390415
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377
7-(3-methoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 9604912
6-methoxy-3,8-dimethyl-N-(2-pyridin-4-ylethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 46239835
4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 54673096
4-[6-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 56942076

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole?
The IUPAC name of 5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole (CID 78322153) is 5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole.
What is the SMILES notation for 5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole?
The canonical SMILES for 5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole is COc1ccncc1-c1ccc2[nH]nc(-c3cc(N4CCN(C(C)C)CC4)ncn3)c2c1.
What is the InChIKey of 5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole?
The InChIKey is OKWDSKOHFZQLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-16(2)30-8-10-31(11-9-30)23-13-21(26-15-27-23)24-18-12-17(4-5-20(18)28-29-24)19-14-25-7-6-22(19)32-3/h4-7,12-16H,8-11H2,1-3H3,(H,28,29).
What are the key properties of 5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole?
5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole has a molecular weight of 429.53 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-pyridinyl)-3-[6-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole is sourced from PubChem (CID 78322153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).