N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C24H28N6O3 — CID 162648829

IUPACN-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4cn(CCN(C)C)nc4cc3C(C)(C)O)co2)ccn1
InChIInChI=1S/C24H28N6O3/c1-15-10-16(6-7-25-15)23-27-21(14-33-23)22(31)26-20-11-17-13-30(9-8-29(4)5)28-19(17)12-18(20)24(2,3)32/h6-7,10-14,32H,8-9H2,1-5H3,(H,26,31)
InChIKeyOVBBOHRFQUWACF-UHFFFAOYSA-N
MW448.53 g/mol
LogP3.44
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 162648829) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID162648829
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCc1cc(-c2nc(C(=O)Nc3cc4cn(CCN(C)C)nc4cc3C(C)(C)O)co2)ccn1
InChIInChI=1S/C24H28N6O3/c1-15-10-16(6-7-25-15)23-27-21(14-33-23)22(31)26-20-11-17-13-30(9-8-29(4)5)28-19(17)12-18(20)24(2,3)32/h6-7,10-14,32H,8-9H2,1-5H3,(H,26,31)
InChIKeyOVBBOHRFQUWACF-UHFFFAOYSA-N
XLogP3.44
TPSA109.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 162648829) is N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4cn(CCN(C)C)nc4cc3C(C)(C)O)co2)ccn1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OVBBOHRFQUWACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-15-10-16(6-7-25-15)23-27-21(14-33-23)22(31)26-20-11-17-13-30(9-8-29(4)5)28-19(17)12-18(20)24(2,3)32/h6-7,10-14,32H,8-9H2,1-5H3,(H,26,31).
What are the key properties of N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 162648829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).