ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride

C21H30FN5O — CID 144694928

IUPACethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
SMILESCC.CC1(Oc2ccc3[nH]nc(-c4cc(N5CCCC5)ncn4)c3c2)CC1.F.[H][H]
InChIInChI=1S/C19H21N5O.C2H6.FH.H2/c1-19(6-7-19)25-13-4-5-15-14(10-13)18(23-22-15)16-11-17(21-12-20-16)24-8-2-3-9-24;1-2;;/h4-5,10-12H,2-3,6-9H2,1H3,(H,22,23);1-2H3;2*1H
InChIKeyAVESWMSEWKPJJN-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.98
Rot. Bonds4

About ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride

ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride (PubChem CID 144694928) has the molecular formula C21H30FN5O and a molecular weight of 387.50 g/mol. Its IUPAC name is ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride.

Molecular Properties

Compound Nameethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
PubChem CID144694928
Molecular FormulaC21H30FN5O
Molecular Weight387.50 g/mol
Exact Mass387.24
IUPAC Nameethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
SMILESCC.CC1(Oc2ccc3[nH]nc(-c4cc(N5CCCC5)ncn4)c3c2)CC1.F.[H][H]
InChIInChI=1S/C19H21N5O.C2H6.FH.H2/c1-19(6-7-19)25-13-4-5-15-14(10-13)18(23-22-15)16-11-17(21-12-20-16)24-8-2-3-9-24;1-2;;/h4-5,10-12H,2-3,6-9H2,1H3,(H,22,23);1-2H3;2*1H
InChIKeyAVESWMSEWKPJJN-UHFFFAOYSA-N
XLogP4.98
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-8-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 78324899
5-(1-methylcyclopropyl)oxy-3-[6-(3,3,4-trimethylpiperazin-1-yl)pyrimidin-4-yl]-1H-indazole
CID 165137321
3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 78324278
3-[6-(3-iodopyrrolidin-1-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165138096
2-[2-[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperazin-1-yl]-4-pyridinyl]propan-2-ol
CID 90398386
5-(1-methylcyclopropyl)oxy-3-[6-[(1R,5S)-8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]pyrimidin-4-yl]-1H-indazole
CID 90398252
(3S,4S)-4-methoxy-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 90398251
2-methyl-7-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 90398437
3-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 90398232
[4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanol
CID 123483257
3-[6-(azetidin-1-yl)pyrimidin-4-yl]-5-ethoxy-1H-indazole
CID 165138004
3-[6-[4-[[4-[(3-fluoroazetidin-3-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165137965

Frequently Asked Questions

What is the IUPAC name of ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride?
The IUPAC name of ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride (CID 144694928) is ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride.
What is the SMILES notation for ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride?
The canonical SMILES for ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride is CC.CC1(Oc2ccc3[nH]nc(-c4cc(N5CCCC5)ncn4)c3c2)CC1.F.[H][H].
What is the InChIKey of ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride?
The InChIKey is AVESWMSEWKPJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O.C2H6.FH.H2/c1-19(6-7-19)25-13-4-5-15-14(10-13)18(23-22-15)16-11-17(21-12-20-16)24-8-2-3-9-24;1-2;;/h4-5,10-12H,2-3,6-9H2,1H3,(H,22,23);1-2H3;2*1H.
What are the key properties of ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride?
ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride has a molecular weight of 387.50 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride is sourced from PubChem (CID 144694928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).