CID 146801222

C19H21BFN4O3 — CID 146801222

IUPAC—
SMILESCC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCC2[B]C2)c2ccccc12
InChIInChI=1S/C19H21BFN4O3/c1-11(26)18-14-4-2-3-5-15(14)25(23-18)10-17(27)24-9-13(21)6-16(24)19(28)22-8-12-7-20-12/h2-5,12-13,16H,6-10H2,1H3,(H,22,28)/t12?,13-,16+/m1/s1
InChIKeyRZMVZKZEWZVOSI-QVNUIZJESA-N
MW383.21 g/mol
LogP1.22
Rot. Bonds6

About CID 146801222

CID 146801222 (PubChem CID 146801222) has the molecular formula C19H21BFN4O3 and a molecular weight of 383.21 g/mol.

Molecular Properties

Compound NameCID 146801222
PubChem CID146801222
Molecular FormulaC19H21BFN4O3
Molecular Weight383.21 g/mol
Exact Mass383.17
IUPAC Name—
SMILESCC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCC2[B]C2)c2ccccc12
InChIInChI=1S/C19H21BFN4O3/c1-11(26)18-14-4-2-3-5-15(14)25(23-18)10-17(27)24-9-13(21)6-16(24)19(28)22-8-12-7-20-12/h2-5,12-13,16H,6-10H2,1H3,(H,22,28)/t12?,13-,16+/m1/s1
InChIKeyRZMVZKZEWZVOSI-QVNUIZJESA-N
XLogP1.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 126623461
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(cyanomethyl)-4-fluoropyrrolidine-2-carboxamide
CID 135149203
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetyl]-N-benzyl-4-fluoropyrrolidine-2-carboxamide
CID 126654091
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)-4-fluoro-2-[[(7S)-spiro[2.5]octan-7-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 72720873
1-[(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-2-[2-fluoro-3-(1,2,3,4-tetrahydroquinoxalin-6-yl)phenyl]ethanone
CID 147842978
(2S,4R)-1-[2-(3-acetyl-5-methylsulfinylindazol-1-yl)acetyl]-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide
CID 153298841
(2S,4R)-1-[2-(3-acetyl-5-bromoindazol-1-yl)acetyl]-N-[3-(7-chloro-3H-indol-6-yl)-2-fluorophenyl]-4-fluoropyrrolidine-2-carboxamide
CID 158917516
5-[3-[2-[(2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-2-oxoethyl]-2-fluorophenyl]-3H-1,3-benzothiazol-2-one
CID 160767599
(2S,4R)-1-[2-(3-acetyl-5-pyridazin-4-ylindazol-1-yl)acetyl]-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-fluoropyrrolidine-2-carboxamide
CID 146408365
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoro-N-(3-fluoro-4-methylpent-2-en-2-yl)pyrrolidine-2-carboxamide
CID 175208199
(2S,4R)-1-[2-(3-acetyl-5-pyrazolo[1,5-a]pyrimidin-6-ylindazol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 126643503

Frequently Asked Questions

What is the IUPAC name of CID 146801222?
The IUPAC name of CID 146801222 (CID 146801222) is not available.
What is the SMILES notation for CID 146801222?
The canonical SMILES for CID 146801222 is CC(=O)c1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)NCC2[B]C2)c2ccccc12.
What is the InChIKey of CID 146801222?
The InChIKey is RZMVZKZEWZVOSI-QVNUIZJESA-N. The full InChI is InChI=1S/C19H21BFN4O3/c1-11(26)18-14-4-2-3-5-15(14)25(23-18)10-17(27)24-9-13(21)6-16(24)19(28)22-8-12-7-20-12/h2-5,12-13,16H,6-10H2,1H3,(H,22,28)/t12?,13-,16+/m1/s1.
What are the key properties of CID 146801222?
CID 146801222 has a molecular weight of 383.21 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146801222 is sourced from PubChem (CID 146801222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).