1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole

C115H158F6N16O2 — CID 160566726

IUPAC1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole
SMILESCC(C)C1(C)CCOCC1.CC(C)C1CCC(F)(F)CC1.CC(C)C1CCN(C2CC2)CC1.CC(C)c1ccc2c(cnn2C(F)F)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2cnn(C(F)F)c2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1cccc2c1cnn2C.CC(C)c1cccc2cn[nH]c12.CC(C)c1cccc2cnn(C)c12
InChIInChI=1S/2C11H12F2N2.4C11H14N2.C11H21N.C10H12N2.C10H11NO.C9H16F2.C9H18O/c1-7(2)8-3-4-10-9(5-8)6-14-15(10)11(12)13;1-7(2)8-3-4-9-6-14-15(11(12)13)10(9)5-8;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-9(2)10-5-7-12(8-6-10)11-3-4-11;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-5-9(10,11)6-4-8;1-8(2)9(3)4-6-10-7-5-9/h2*3-7,11H,1-2H3;4*4-8H,1-3H3;9-11H,3-8H2,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3
InChIKeyRAAASOWSTZLNGD-UHFFFAOYSA-N
MW1910.63 g/mol
LogP31.98
Rot. Bonds14

About 1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole

1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole (PubChem CID 160566726) has the molecular formula C115H158F6N16O2 and a molecular weight of 1910.63 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole.

Molecular Properties

Compound Name1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole
PubChem CID160566726
Molecular FormulaC115H158F6N16O2
Molecular Weight1910.63 g/mol
Exact Mass1909.27
IUPAC Name1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole
SMILESCC(C)C1(C)CCOCC1.CC(C)C1CCC(F)(F)CC1.CC(C)C1CCN(C2CC2)CC1.CC(C)c1ccc2c(cnn2C(F)F)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2cnn(C(F)F)c2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1cccc2c1cnn2C.CC(C)c1cccc2cn[nH]c12.CC(C)c1cccc2cnn(C)c12
InChIInChI=1S/2C11H12F2N2.4C11H14N2.C11H21N.C10H12N2.C10H11NO.C9H16F2.C9H18O/c1-7(2)8-3-4-10-9(5-8)6-14-15(10)11(12)13;1-7(2)8-3-4-9-6-14-15(11(12)13)10(9)5-8;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-9(2)10-5-7-12(8-6-10)11-3-4-11;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-5-9(10,11)6-4-8;1-8(2)9(3)4-6-10-7-5-9/h2*3-7,11H,1-2H3;4*4-8H,1-3H3;9-11H,3-8H2,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3
InChIKeyRAAASOWSTZLNGD-UHFFFAOYSA-N
XLogP31.98
TPSA174.10 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001910.63
LogP ≤ 531.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole?
The IUPAC name of 1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole (CID 160566726) is 1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole.
What is the SMILES notation for 1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole?
The canonical SMILES for 1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole is CC(C)C1(C)CCOCC1.CC(C)C1CCC(F)(F)CC1.CC(C)C1CCN(C2CC2)CC1.CC(C)c1ccc2c(cnn2C(F)F)c1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1ccc2cnn(C(F)F)c2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1cccc2c1cnn2C.CC(C)c1cccc2cn[nH]c12.CC(C)c1cccc2cnn(C)c12.
What is the InChIKey of 1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole?
The InChIKey is RAAASOWSTZLNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12F2N2.4C11H14N2.C11H21N.C10H12N2.C10H11NO.C9H16F2.C9H18O/c1-7(2)8-3-4-10-9(5-8)6-14-15(10)11(12)13;1-7(2)8-3-4-9-6-14-15(11(12)13)10(9)5-8;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-8(2)10-6-4-5-9-7-12-13(3)11(9)10;1-9(2)10-5-7-12(8-6-10)11-3-4-11;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-5-9(10,11)6-4-8;1-8(2)9(3)4-6-10-7-5-9/h2*3-7,11H,1-2H3;4*4-8H,1-3H3;9-11H,3-8H2,1-2H3;3-7H,1-2H3,(H,11,12);3-7H,1-2H3;7-8H,3-6H2,1-2H3;8H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole?
1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole has a molecular weight of 1910.63 g/mol, XLogP of 31.98, 14 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole is sourced from PubChem (CID 160566726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).