5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole

C24H27N7O — CID 90398518

IUPAC5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(Cc5ccncc5)CC4)ncn3)c2c1
InChIInChI=1S/C24H27N7O/c1-17(2)32-19-3-4-21-20(13-19)24(29-28-21)22-14-23(27-16-26-22)31-11-9-30(10-12-31)15-18-5-7-25-8-6-18/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H,28,29)
InChIKeyQFGFOXVBAQGMIQ-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.52
Rot. Bonds6

About 5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole

5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole (PubChem CID 90398518) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole.

Molecular Properties

Compound Name5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole
PubChem CID90398518
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(Cc5ccncc5)CC4)ncn3)c2c1
InChIInChI=1S/C24H27N7O/c1-17(2)32-19-3-4-21-20(13-19)24(29-28-21)22-14-23(27-16-26-22)31-11-9-30(10-12-31)15-18-5-7-25-8-6-18/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H,28,29)
InChIKeyQFGFOXVBAQGMIQ-UHFFFAOYSA-N
XLogP3.52
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

MLi-2
CID 78319901
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6-Methoxy-3,8-Dimethyl-4-(Morpholin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]quinoline
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3-[2-(Morpholin-4-Yl)pyridin-4-Yl]-5-[(Propan-2-Yl)oxy]-1h-Indazole
CID 90400979
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CID 943137
Pyrazole, 16
CID 11567059
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646047
5-[(1E)-(methoxyimino)methyl]-6-[(1-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646048
5-[(1E)-(methoxyimino)methyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646049
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-(propoxyimino)methyl]pyrimidin-4-amine
CID 23646053
5-[(1E)-(butoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646054

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole?
The IUPAC name of 5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole (CID 90398518) is 5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole.
What is the SMILES notation for 5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole?
The canonical SMILES for 5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole is CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(Cc5ccncc5)CC4)ncn3)c2c1.
What is the InChIKey of 5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole?
The InChIKey is QFGFOXVBAQGMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-17(2)32-19-3-4-21-20(13-19)24(29-28-21)22-14-23(27-16-26-22)31-11-9-30(10-12-31)15-18-5-7-25-8-6-18/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H,28,29).
What are the key properties of 5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole?
5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole has a molecular weight of 429.53 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-3-[6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole is sourced from PubChem (CID 90398518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).