2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide

C24H26ClN5O2 — CID 134808502

IUPAC2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCCCn1ccnc1
InChIInChI=1S/C24H26ClN5O2/c1-24(2,23(31)27-11-6-13-29-14-12-26-17-29)32-22-20-9-3-4-10-21(20)30(28-22)16-18-7-5-8-19(25)15-18/h3-5,7-10,12,14-15,17H,6,11,13,16H2,1-2H3,(H,27,31)
InChIKeyBTXJCQZAXDTTFX-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.30
Rot. Bonds9

About 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide (PubChem CID 134808502) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
PubChem CID134808502
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
SMILESCC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCCCn1ccnc1
InChIInChI=1S/C24H26ClN5O2/c1-24(2,23(31)27-11-6-13-29-14-12-26-17-29)32-22-20-9-3-4-10-21(20)30(28-22)16-18-7-5-8-19(25)15-18/h3-5,7-10,12,14-15,17H,6,11,13,16H2,1-2H3,(H,27,31)
InChIKeyBTXJCQZAXDTTFX-UHFFFAOYSA-N
XLogP4.30
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)propanamide
CID 6622674
2-(4-chlorophenoxy)-N-(3-{imidazo[1,2-a]pyrimidin-2-yl}phenyl)-2-methylpropanamide
CID 7080181
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(dimethylamino)ethyl]-2-methylpropanamide
CID 134808475
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
CID 134810271
22-Methyl-6-oxa-9,13,14,17,19,22,25-heptazapentacyclo[16.5.2.22,5.113,16.021,24]octacosa-1(23),2(28),3,5(27),14,16(26),18,20,24-nonaen-8-one
CID 178292324
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-pyridin-3-ylpropanamide
CID 134805060
N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide
CID 134805444
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 134807064
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide
CID 134809736
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
CID 134809756
N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide
CID 134809966
US10781181, Example 95
CID 121364659

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide?
The IUPAC name of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide (CID 134808502) is 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide.
What is the SMILES notation for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide?
The canonical SMILES for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide is CC(C)(Oc1nn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide?
The InChIKey is BTXJCQZAXDTTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c1-24(2,23(31)27-11-6-13-29-14-12-26-17-29)32-22-20-9-3-4-10-21(20)30(28-22)16-18-7-5-8-19(25)15-18/h3-5,7-10,12,14-15,17H,6,11,13,16H2,1-2H3,(H,27,31).
What are the key properties of 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide?
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide has a molecular weight of 451.96 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide is sourced from PubChem (CID 134808502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).