(3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone

C18H16ClFN4O — CID 130423582

IUPAC(3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESNc1n[nH]c2ccc(C(=O)N3CCCC3c3ccc(Cl)c(F)c3)cc12
InChIInChI=1S/C18H16ClFN4O/c19-13-5-3-10(9-14(13)20)16-2-1-7-24(16)18(25)11-4-6-15-12(8-11)17(21)23-22-15/h3-6,8-9,16H,1-2,7H2,(H3,21,22,23)
InChIKeyBYIQQBQETVBXKF-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.91
Rot. Bonds2

About (3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone

(3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 130423582) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is (3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID130423582
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name(3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESNc1n[nH]c2ccc(C(=O)N3CCCC3c3ccc(Cl)c(F)c3)cc12
InChIInChI=1S/C18H16ClFN4O/c19-13-5-3-10(9-14(13)20)16-2-1-7-24(16)18(25)11-4-6-15-12(8-11)17(21)23-22-15/h3-6,8-9,16H,1-2,7H2,(H3,21,22,23)
InChIKeyBYIQQBQETVBXKF-UHFFFAOYSA-N
XLogP3.91
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 130423718
(3-amino-1H-indazol-5-yl)-(2-phenylaziridin-1-yl)methanone
CID 130423644
(3-amino-1H-indazol-5-yl)-[(2R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]pyrrolidin-1-yl]methanone
CID 130450270
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 25348089
[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 70742188
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(2-methylprop-2-enyl)-2H-indazol-5-yl]methanone
CID 163859685
[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 118892627
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
[(2S)-2-(4-bromophenyl)pyrrolidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 118879407
[(2R)-2-(4-bromophenyl)pyrrolidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 130423731
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
7-[(2S)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 95045601

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone (CID 130423582) is (3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone is Nc1n[nH]c2ccc(C(=O)N3CCCC3c3ccc(Cl)c(F)c3)cc12.
What is the InChIKey of (3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is BYIQQBQETVBXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c19-13-5-3-10(9-14(13)20)16-2-1-7-24(16)18(25)11-4-6-15-12(8-11)17(21)23-22-15/h3-6,8-9,16H,1-2,7H2,(H3,21,22,23).
What are the key properties of (3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone?
(3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 358.80 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-indazol-5-yl)-[2-(4-chloro-3-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 130423582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).