6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole

C26H32F2N6O — CID 165138051

IUPAC6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
SMILESCC1(Oc2cc3c(-c4cc(N5CCC(CC6(F)CCNCC6)CC5)ncn4)n[nH]c3cc2F)CC1
InChIInChI=1S/C26H32F2N6O/c1-25(4-5-25)35-22-12-18-20(13-19(22)27)32-33-24(18)21-14-23(31-16-30-21)34-10-2-17(3-11-34)15-26(28)6-8-29-9-7-26/h12-14,16-17,29H,2-11,15H2,1H3,(H,32,33)
InChIKeyRSBVLJDZQBTXGP-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.79
Rot. Bonds6

About 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole

6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole (PubChem CID 165138051) has the molecular formula C26H32F2N6O and a molecular weight of 482.58 g/mol. Its IUPAC name is 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole.

Molecular Properties

Compound Name6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
PubChem CID165138051
Molecular FormulaC26H32F2N6O
Molecular Weight482.58 g/mol
Exact Mass482.26
IUPAC Name6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole
SMILESCC1(Oc2cc3c(-c4cc(N5CCC(CC6(F)CCNCC6)CC5)ncn4)n[nH]c3cc2F)CC1
InChIInChI=1S/C26H32F2N6O/c1-25(4-5-25)35-22-12-18-20(13-19(22)27)32-33-24(18)21-14-23(31-16-30-21)34-10-2-17(3-11-34)15-26(28)6-8-29-9-7-26/h12-14,16-17,29H,2-11,15H2,1H3,(H,32,33)
InChIKeyRSBVLJDZQBTXGP-UHFFFAOYSA-N
XLogP4.79
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?
The IUPAC name of 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole (CID 165138051) is 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole.
What is the SMILES notation for 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?
The canonical SMILES for 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole is CC1(Oc2cc3c(-c4cc(N5CCC(CC6(F)CCNCC6)CC5)ncn4)n[nH]c3cc2F)CC1.
What is the InChIKey of 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?
The InChIKey is RSBVLJDZQBTXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N6O/c1-25(4-5-25)35-22-12-18-20(13-19(22)27)32-33-24(18)21-14-23(31-16-30-21)34-10-2-17(3-11-34)15-26(28)6-8-29-9-7-26/h12-14,16-17,29H,2-11,15H2,1H3,(H,32,33).
What are the key properties of 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole?
6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole has a molecular weight of 482.58 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[6-[4-[(4-fluoropiperidin-4-yl)methyl]piperidin-1-yl]pyrimidin-4-yl]-5-(1-methylcyclopropyl)oxy-1H-indazole is sourced from PubChem (CID 165138051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).