2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide

C27H26F2N4O — CID 123802865

IUPAC2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cc(F)cnc1CCC1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC21C1CC1
InChIInChI=1S/C27H26F2N4O/c28-20-6-8-22(9-7-20)33-25-11-19-4-3-18(27(19,17-1-2-17)13-16(25)14-32-33)5-10-24-23(26(30)34)12-21(29)15-31-24/h6-9,11-12,14-15,17-18H,1-5,10,13H2,(H2,30,34)
InChIKeyQQIZXIUPMYWZPB-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.02
Rot. Bonds6

About 2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide

2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide (PubChem CID 123802865) has the molecular formula C27H26F2N4O and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide
PubChem CID123802865
Molecular FormulaC27H26F2N4O
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cc(F)cnc1CCC1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC21C1CC1
InChIInChI=1S/C27H26F2N4O/c28-20-6-8-22(9-7-20)33-25-11-19-4-3-18(27(19,17-1-2-17)13-16(25)14-32-33)5-10-24-23(26(30)34)12-21(29)15-31-24/h6-9,11-12,14-15,17-18H,1-5,10,13H2,(H2,30,34)
InChIKeyQQIZXIUPMYWZPB-UHFFFAOYSA-N
XLogP5.02
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide with MolForge

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Related Compounds

2-[2-[(4aR,5R)-4a-cyclopropyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-5-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 52934034
2-[2-[4a-ethyl-1-(4-fluorophenyl)-5-hydroxy-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]pyridine-3-carboxamide
CID 75964928
5-chloro-2-[2-[(12S)-6-(4-fluorophenyl)-5,6-diazatetracyclo[7.4.0.01,12.03,7]trideca-3(7),4,8-trien-12-yl]ethyl]benzamide
CID 143661760
(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5-pent-4-enyl-4,5,6,7-tetrahydrocyclopenta[f]indazole
CID 89326790
(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-5-(4-pyridin-2-ylbutyl)-4,5,6,7-tetrahydrocyclopenta[f]indazole
CID 58242824
(4aS,5R)-1-(4-fluorophenyl)-N,N,4a-trimethyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-amine
CID 58622938
2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-3-fluorobenzamide
CID 71452929
2-(hydroxymethyl)benzamide;(12R)-6-phenyl-5,6-diazatetracyclo[7.4.0.01,12.03,7]trideca-3(7),4,8-triene
CID 143661755
2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethyl]-5-fluorobenzamide;2-[2-[(4aS,5R)-1-(4-fluorophenyl)-5-hydroxy-4a-methyl-6,7-dihydro-4H-cyclopenta[f]indazol-5-yl]ethynyl]-5-fluorobenzamide
CID 159213279
ethane;1-(4-fluorophenyl)-4a-methyl-5-(2-phenylsulfanylprop-2-enyl)-4,5,6,7-tetrahydrocyclopenta[f]indazole
CID 142819479
2-[2-[2-[(12S)-6-(4-fluorophenyl)-5,6-diazatetracyclo[7.4.0.01,12.03,7]trideca-3(7),4,8-trien-12-yl]ethyl]phenyl]acetamide
CID 143674275
2-ethyl-N-[2-[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-1-phenylethyl]butanamide
CID 91611206

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide (CID 123802865) is 2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide is NC(=O)c1cc(F)cnc1CCC1CCC2=Cc3c(cnn3-c3ccc(F)cc3)CC21C1CC1.
What is the InChIKey of 2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is QQIZXIUPMYWZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O/c28-20-6-8-22(9-7-20)33-25-11-19-4-3-18(27(19,17-1-2-17)13-16(25)14-32-33)5-10-24-23(26(30)34)12-21(29)15-31-24/h6-9,11-12,14-15,17-18H,1-5,10,13H2,(H2,30,34).
What are the key properties of 2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide?
2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4a-cyclopropyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 123802865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).