N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide

C19H18Cl2N4O — CID 169207873

IUPACN-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCN1)Nc1n[nH]c2ccc(-c3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C19H18Cl2N4O/c20-14-4-1-5-15(21)18(14)11-6-7-16-13(9-11)19(25-24-16)23-17(26)10-12-3-2-8-22-12/h1,4-7,9,12,22H,2-3,8,10H2,(H2,23,24,25,26)/t12-/m0/s1
InChIKeyXWNDOKHPXHGTCE-LBPRGKRZSA-N
MW389.29 g/mol
LogP4.62
Rot. Bonds4

About N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide

N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide (PubChem CID 169207873) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide
PubChem CID169207873
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC NameN-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCN1)Nc1n[nH]c2ccc(-c3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C19H18Cl2N4O/c20-14-4-1-5-15(21)18(14)11-6-7-16-13(9-11)19(25-24-16)23-17(26)10-12-3-2-8-22-12/h1,4-7,9,12,22H,2-3,8,10H2,(H2,23,24,25,26)/t12-/m0/s1
InChIKeyXWNDOKHPXHGTCE-LBPRGKRZSA-N
XLogP4.62
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207870
N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207949
(3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 169208126
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119676880
2-cyclopentyl-N-[6-(3-fluorophenyl)-1H-indazol-3-yl]acetamide
CID 69060880
2-cyclopentyl-N-(1H-indazol-3-yl)acetamide
CID 55023308
N-(2,6-dibromo-4-chlorophenyl)-2-pyrrolidin-2-ylacetamide
CID 114209112
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-pyrrolidin-2-ylacetamide
CID 61370404
2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide
CID 119703587
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119746685
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide?
The IUPAC name of N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide (CID 169207873) is N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide is O=C(C[C@@H]1CCCN1)Nc1n[nH]c2ccc(-c3c(Cl)cccc3Cl)cc12.
What is the InChIKey of N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide?
The InChIKey is XWNDOKHPXHGTCE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c20-14-4-1-5-15(21)18(14)11-6-7-16-13(9-11)19(25-24-16)23-17(26)10-12-3-2-8-22-12/h1,4-7,9,12,22H,2-3,8,10H2,(H2,23,24,25,26)/t12-/m0/s1.
What are the key properties of N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide?
N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide has a molecular weight of 389.29 g/mol, XLogP of 4.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 169207873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).