N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide

C24H35N5O3 — CID 134809966

IUPACN-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCCn1ccnc1)nn2CCC(C)C
InChIInChI=1S/C24H35N5O3/c1-18(2)9-13-29-21-8-7-19(16-31-5)15-20(21)22(27-29)32-24(3,4)23(30)26-10-6-12-28-14-11-25-17-28/h7-8,11,14-15,17-18H,6,9-10,12-13,16H2,1-5H3,(H,26,30)
InChIKeyLYWVLJWIRWMIPH-UHFFFAOYSA-N
MW441.58 g/mol
LogP3.79
Rot. Bonds12

About N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide

N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide (PubChem CID 134809966) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide
PubChem CID134809966
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide
SMILESCOCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCCn1ccnc1)nn2CCC(C)C
InChIInChI=1S/C24H35N5O3/c1-18(2)9-13-29-21-8-7-19(16-31-5)15-20(21)22(27-29)32-24(3,4)23(30)26-10-6-12-28-14-11-25-17-28/h7-8,11,14-15,17-18H,6,9-10,12-13,16H2,1-5H3,(H,26,30)
InChIKeyLYWVLJWIRWMIPH-UHFFFAOYSA-N
XLogP3.79
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
CID 134808502
2-(3-cyclopropyl-1,4-dimethylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-[1-(1-methylindol-5-yl)ethyl]acetamide
CID 67209542
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(oxan-4-ylmethyl)propanamide
CID 134810046
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-N-(3-imidazol-1-ylpropyl)-2-methylpropanamide
CID 134810271
example 3A.02, on page 196 of WO15017610
CID 117843029
US9914735, Example 17
CID 118401316
2-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 134809900
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-[5-(methoxymethyl)-1-(pyridin-3-ylmethyl)indazol-3-yl]oxy-N-(3-methoxypropyl)-2-methylpropanamide
CID 134810138
N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-[(3-methoxyphenyl)methyl]indazol-3-yl]oxy-2-methylpropanamide
CID 134805444
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-pyridin-2-ylpropanamide
CID 134807844
2-[1-benzyl-5-(methoxymethyl)indazol-3-yl]oxy-2-methyl-N-(pyrazin-2-ylmethyl)propanamide
CID 134807859

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide (CID 134809966) is N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide is COCc1ccc2c(c1)c(OC(C)(C)C(=O)NCCCn1ccnc1)nn2CCC(C)C.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide?
The InChIKey is LYWVLJWIRWMIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-18(2)9-13-29-21-8-7-19(16-31-5)15-20(21)22(27-29)32-24(3,4)23(30)26-10-6-12-28-14-11-25-17-28/h7-8,11,14-15,17-18H,6,9-10,12-13,16H2,1-5H3,(H,26,30).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide?
N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide has a molecular weight of 441.58 g/mol, XLogP of 3.79, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[5-(methoxymethyl)-1-(3-methylbutyl)indazol-3-yl]oxy-2-methylpropanamide is sourced from PubChem (CID 134809966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).