1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

C23H28FN5O3 — CID 72720873

IUPAC1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@H]2CCCC3(CC3)C2)c2ccccc12
InChIInChI=1S/C23H28FN5O3/c24-14-10-18(22(32)26-15-4-3-7-23(11-15)8-9-23)28(12-14)19(30)13-29-17-6-2-1-5-16(17)20(27-29)21(25)31/h1-2,5-6,14-15,18H,3-4,7-13H2,(H2,25,31)(H,26,32)/t14-,15+,18+/m1/s1
InChIKeyVIOMEWIDKQGBKY-VKJFTORMSA-N
MW441.51 g/mol
LogP1.91
Rot. Bonds5

About 1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 72720873) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID72720873
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@H]2CCCC3(CC3)C2)c2ccccc12
InChIInChI=1S/C23H28FN5O3/c24-14-10-18(22(32)26-15-4-3-7-23(11-15)8-9-23)28(12-14)19(30)13-29-17-6-2-1-5-16(17)20(27-29)21(25)31/h1-2,5-6,14-15,18H,3-4,7-13H2,(H2,25,31)(H,26,32)/t14-,15+,18+/m1/s1
InChIKeyVIOMEWIDKQGBKY-VKJFTORMSA-N
XLogP1.91
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2S,4R)-2-[[(1R)-3,3-dimethylcyclohexyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72720661
1-[2-[(2S,4R)-2-[(3,3-dimethylcyclohexyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 118093303
1-[2-[(1R,3S,5R)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72721784
1-[2-[(1R,3S,5R)-3-[[(3R)-3-methoxy-3-(trifluoromethyl)cyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 131709552
1-[2-[(1R,3S,5S)-3-[[(1S)-3,3-dimethylcyclohexyl]carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 90019408
1-[2-[(2S,4R)-4-fluoro-2-[[(1R,2S)-2-phenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[4,3-c]pyridine-3-carboxamide
CID 72944378
CID 146801222
CID 146801222
1-[2-[2-[(5-cyclopropyl-4-oxo-5-azaspiro[2.4]heptan-7-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334434
1-[2-oxo-2-[(1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]ethyl]indazole-3-carboxamide
CID 118073417
1-[2-[(1R,3S,5R)-3-[[(1R,3S)-3-methoxycyclohexyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72721574
1-[2-[4-fluoro-2-[(2-phenylmethoxycyclopentyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 123951412
1-[2-[(2S,4R)-2-[[3-(2-amino-4-chloro-1H-benzimidazol-5-yl)-2-fluorophenyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 135221611

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide (CID 72720873) is 1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@H]2CCCC3(CC3)C2)c2ccccc12.
What is the InChIKey of 1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is VIOMEWIDKQGBKY-VKJFTORMSA-N. The full InChI is InChI=1S/C23H28FN5O3/c24-14-10-18(22(32)26-15-4-3-7-23(11-15)8-9-23)28(12-14)19(30)13-29-17-6-2-1-5-16(17)20(27-29)21(25)31/h1-2,5-6,14-15,18H,3-4,7-13H2,(H2,25,31)(H,26,32)/t14-,15+,18+/m1/s1.
What are the key properties of 1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S,4R)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 72720873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).