2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide

C24H29N7O4 — CID 139365755

IUPAC2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOCCn1nc(-c2ccc(OCC(=O)NC(C)C)c(OC)c2)nc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C24H29N7O4/c1-15(2)26-22(32)14-35-20-8-5-16(12-21(20)34-4)23-28-24(31(30-23)9-10-33-3)27-18-6-7-19-17(11-18)13-25-29-19/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,25,29)(H,26,32)(H,27,28,30)
InChIKeyMZJKIIHIUCWKIZ-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.12
Rot. Bonds11

About 2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide

2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide (PubChem CID 139365755) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
PubChem CID139365755
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC Name2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide
SMILESCOCCn1nc(-c2ccc(OCC(=O)NC(C)C)c(OC)c2)nc1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C24H29N7O4/c1-15(2)26-22(32)14-35-20-8-5-16(12-21(20)34-4)23-28-24(31(30-23)9-10-33-3)27-18-6-7-19-17(11-18)13-25-29-19/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,25,29)(H,26,32)(H,27,28,30)
InChIKeyMZJKIIHIUCWKIZ-UHFFFAOYSA-N
XLogP3.12
TPSA128.21 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide (CID 139365755) is 2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide is COCCn1nc(-c2ccc(OCC(=O)NC(C)C)c(OC)c2)nc1Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
The InChIKey is MZJKIIHIUCWKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-15(2)26-22(32)14-35-20-8-5-16(12-21(20)34-4)23-28-24(31(30-23)9-10-33-3)27-18-6-7-19-17(11-18)13-25-29-19/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,25,29)(H,26,32)(H,27,28,30).
What are the key properties of 2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide?
2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide has a molecular weight of 479.54 g/mol, XLogP of 3.12, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(1H-indazol-5-ylamino)-1-(2-methoxyethyl)-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 139365755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).