1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol

C20H22FN5O2 — CID 165137199

IUPAC1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol
SMILESCC1(Oc2cc3c(-c4cc(N5CCC(O)CC5)ncn4)n[nH]c3cc2F)CC1
InChIInChI=1S/C20H22FN5O2/c1-20(4-5-20)28-17-8-13-15(9-14(17)21)24-25-19(13)16-10-18(23-11-22-16)26-6-2-12(27)3-7-26/h8-12,27H,2-7H2,1H3,(H,24,25)
InChIKeyGSRCIOUAYRBKOP-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.05
Rot. Bonds4

About 1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol

1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 165137199) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol
PubChem CID165137199
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol
SMILESCC1(Oc2cc3c(-c4cc(N5CCC(O)CC5)ncn4)n[nH]c3cc2F)CC1
InChIInChI=1S/C20H22FN5O2/c1-20(4-5-20)28-17-8-13-15(9-14(17)21)24-25-19(13)16-10-18(23-11-22-16)26-6-2-12(27)3-7-26/h8-12,27H,2-7H2,1H3,(H,24,25)
InChIKeyGSRCIOUAYRBKOP-UHFFFAOYSA-N
XLogP3.05
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol with MolForge

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Related Compounds

6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[(3S)-3-methylpiperazin-1-yl]pyrimidin-4-yl]-1H-indazole
CID 165137133
6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 165138051
6-fluoro-5-(1-methylcyclopropyl)oxy-3-[6-[4-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-1H-indazole
CID 90398418
(2R,6S)-4-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 90398069
7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 90398413
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
3-[6-(4-cyclopropylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-indazole
CID 90398390
3-[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]-6-fluoro-5-propan-2-yloxy-1H-indazole
CID 78323412
ethane;5-(1-methylcyclopropyl)oxy-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-indazole;molecular hydrogen;hydrofluoride
CID 144694928
(3S,4S)-4-methoxy-1-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 90398251
3-[6-(1,4-diazabicyclo[3.2.2]nonan-4-yl)pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
CID 90398232

Frequently Asked Questions

What is the IUPAC name of 1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol (CID 165137199) is 1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol is CC1(Oc2cc3c(-c4cc(N5CCC(O)CC5)ncn4)n[nH]c3cc2F)CC1.
What is the InChIKey of 1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is GSRCIOUAYRBKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-20(4-5-20)28-17-8-13-15(9-14(17)21)24-25-19(13)16-10-18(23-11-22-16)26-6-2-12(27)3-7-26/h8-12,27H,2-7H2,1H3,(H,24,25).
What are the key properties of 1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol?
1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 383.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 165137199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).