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

C18H17ClN4O — CID 134144159

IUPAC(3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESNc1n[nH]c2ccc(C(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)cc12
InChIInChI=1S/C18H17ClN4O/c19-14-4-1-11(2-5-14)13-7-8-23(10-13)18(24)12-3-6-16-15(9-12)17(20)22-21-16/h1-6,9,13H,7-8,10H2,(H3,20,21,22)/t13-/m1/s1
InChIKeyVSIKBMSMNYEKJE-CYBMUJFWSA-N
MW340.81 g/mol
LogP3.43
Rot. Bonds2

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

(3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 134144159) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is (3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone
PubChem CID134144159
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name(3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone
SMILESNc1n[nH]c2ccc(C(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)cc12
InChIInChI=1S/C18H17ClN4O/c19-14-4-1-11(2-5-14)13-7-8-23(10-13)18(24)12-3-6-16-15(9-12)17(20)22-21-16/h1-6,9,13H,7-8,10H2,(H3,20,21,22)/t13-/m1/s1
InChIKeyVSIKBMSMNYEKJE-CYBMUJFWSA-N
XLogP3.43
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Amino-1h-Indazol-5-Yl)[(2s)-2-(4-Fluorophenyl)piperidin-1-Yl]methanone
CID 118879516
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 91827689
[2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 118879399
(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 118879418
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[3-(methylamino)-1H-indazol-5-yl]methanone
CID 118879424
(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-bromophenyl)pyrrolidin-1-yl]methanone
CID 118879477
(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 118879484
(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
CID 118879520
Bcr-abl-IN-5
CID 122196083
[(2S)-2-(4-chlorophenyl)azetidin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 130423545
(4-chlorophenyl){1-[(5-methyl-1H-indazol-3-yl)carbonyl]piperidin-3-yl}methanone
CID 16188605
[4-(3-amino-1H-indazol-4-yl)phenyl]-[4-(2-chlorobenzoyl)piperazin-1-yl]methanone
CID 122196086

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone (CID 134144159) is (3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone is Nc1n[nH]c2ccc(C(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3)cc12.
What is the InChIKey of (3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is VSIKBMSMNYEKJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-14-4-1-11(2-5-14)13-7-8-23(10-13)18(24)12-3-6-16-15(9-12)17(20)22-21-16/h1-6,9,13H,7-8,10H2,(H3,20,21,22)/t13-/m1/s1.
What are the key properties of (3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone?
(3-amino-1H-indazol-5-yl)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 340.81 g/mol, XLogP of 3.43, 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)-[(3S)-3-(4-chlorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 134144159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).