[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone

C19H19ClN4O — CID 118879424

IUPAC[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone
SMILESCNc1n[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12
InChIInChI=1S/C19H19ClN4O/c1-21-18-15-11-13(6-9-16(15)22-23-18)19(25)24-10-2-3-17(24)12-4-7-14(20)8-5-12/h4-9,11,17H,2-3,10H2,1H3,(H2,21,22,23)/t17-/m0/s1
InChIKeyCUQBBHUITNFLKO-KRWDZBQOSA-N
MW354.84 g/mol
LogP4.24
Rot. Bonds3

About [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone

[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone (PubChem CID 118879424) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone
PubChem CID118879424
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone
SMILESCNc1n[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12
InChIInChI=1S/C19H19ClN4O/c1-21-18-15-11-13(6-9-16(15)22-23-18)19(25)24-10-2-3-17(24)12-4-7-14(20)8-5-12/h4-9,11,17H,2-3,10H2,1H3,(H2,21,22,23)/t17-/m0/s1
InChIKeyCUQBBHUITNFLKO-KRWDZBQOSA-N
XLogP4.24
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone?
The IUPAC name of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone (CID 118879424) is [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone.
What is the SMILES notation for [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone?
The canonical SMILES for [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone is CNc1n[nH]c2ccc(C(=O)N3CCC[C@H]3c3ccc(Cl)cc3)cc12.
What is the InChIKey of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone?
The InChIKey is CUQBBHUITNFLKO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-21-18-15-11-13(6-9-16(15)22-23-18)19(25)24-10-2-3-17(24)12-4-7-14(20)8-5-12/h4-9,11,17H,2-3,10H2,1H3,(H2,21,22,23)/t17-/m0/s1.
What are the key properties of [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone?
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone has a molecular weight of 354.84 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone is sourced from PubChem (CID 118879424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).