7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide

C22H24F2N4O2 — CID 176797169

IUPAC7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide
SMILESCC(C)n1cc2cc(NC(=O)c3ccc4c(n3)C(F)(F)CC4)c(C(C)(C)O)cc2n1
InChIInChI=1S/C22H24F2N4O2/c1-12(2)28-11-14-9-18(15(21(3,4)30)10-17(14)27-28)26-20(29)16-6-5-13-7-8-22(23,24)19(13)25-16/h5-6,9-12,30H,7-8H2,1-4H3,(H,26,29)
InChIKeyTZCZGOPXCFLZPG-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.53
Rot. Bonds4

About 7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide

7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide (PubChem CID 176797169) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is 7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide
PubChem CID176797169
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Name7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide
SMILESCC(C)n1cc2cc(NC(=O)c3ccc4c(n3)C(F)(F)CC4)c(C(C)(C)O)cc2n1
InChIInChI=1S/C22H24F2N4O2/c1-12(2)28-11-14-9-18(15(21(3,4)30)10-17(14)27-28)26-20(29)16-6-5-13-7-8-22(23,24)19(13)25-16/h5-6,9-12,30H,7-8H2,1-4H3,(H,26,29)
InChIKeyTZCZGOPXCFLZPG-UHFFFAOYSA-N
XLogP4.53
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[6-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 138727771
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-[2-(4-formylcyclohexyl)-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155437780
methyl 5-[(8,8-difluoro-6,7-dihydro-5H-quinoline-2-carbonyl)amino]-2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate
CID 175973052
3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide
CID 155751992
N-[6-(2-hydroxypropan-2-yl)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137377537
N-[2-[4-(2-hydroxyethyl)cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170238796
N-[6-(2-hydroxypropan-2-yl)-2-(oxetan-3-ylmethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 121364946
3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde
CID 155751991
6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide
CID 121364958
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 164567526
6-tert-butyl-N-[6-(2-hydroxypropan-2-yl)-2-(4-methylcyclohexyl)indazol-5-yl]pyridine-2-carboxamide
CID 170240012

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide?
The IUPAC name of 7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide (CID 176797169) is 7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide.
What is the SMILES notation for 7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide?
The canonical SMILES for 7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide is CC(C)n1cc2cc(NC(=O)c3ccc4c(n3)C(F)(F)CC4)c(C(C)(C)O)cc2n1.
What is the InChIKey of 7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide?
The InChIKey is TZCZGOPXCFLZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-12(2)28-11-14-9-18(15(21(3,4)30)10-17(14)27-28)26-20(29)16-6-5-13-7-8-22(23,24)19(13)25-16/h5-6,9-12,30H,7-8H2,1-4H3,(H,26,29).
What are the key properties of 7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide?
7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-N-[6-(2-hydroxypropan-2-yl)-2-propan-2-ylindazol-5-yl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide is sourced from PubChem (CID 176797169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).