N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide

C22H22FN5O2 — CID 118937813

IUPACN-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NCC1CC1
InChIInChI=1S/C22H22FN5O2/c23-17-4-1-2-5-20(17)28-19-7-3-6-18(16(19)13-25-28)27-11-10-26(22(27)30)14-21(29)24-12-15-8-9-15/h1-7,13,15H,8-12,14H2,(H,24,29)
InChIKeyULAOZPOKIVSIFH-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.93
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide

N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 118937813) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID118937813
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC NameN-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NCC1CC1
InChIInChI=1S/C22H22FN5O2/c23-17-4-1-2-5-20(17)28-19-7-3-6-18(16(19)13-25-28)27-11-10-26(22(27)30)14-21(29)24-12-15-8-9-15/h1-7,13,15H,8-12,14H2,(H,24,29)
InChIKeyULAOZPOKIVSIFH-UHFFFAOYSA-N
XLogP2.93
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide (CID 118937813) is N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide is O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is ULAOZPOKIVSIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-17-4-1-2-5-20(17)28-19-7-3-6-18(16(19)13-25-28)27-11-10-26(22(27)30)14-21(29)24-12-15-8-9-15/h1-7,13,15H,8-12,14H2,(H,24,29).
What are the key properties of N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 407.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 118937813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).