N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide

C26H26N6O3 — CID 53262092

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCO)ccn34)c12
InChIInChI=1S/C26H26N6O3/c1-3-20-25-21(8-5-9-22(25)32(30-20)16-18-7-4-6-17(2)28-18)29-26(34)23-15-27-24-14-19(35-13-12-33)10-11-31(23)24/h4-11,14-15,33H,3,12-13,16H2,1-2H3,(H,29,34)
InChIKeyDPFMSWIHNGFWRO-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.62
Rot. Bonds8

About N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53262092) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53262092
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCO)ccn34)c12
InChIInChI=1S/C26H26N6O3/c1-3-20-25-21(8-5-9-22(25)32(30-20)16-18-7-4-6-17(2)28-18)29-26(34)23-15-27-24-14-19(35-13-12-33)10-11-31(23)24/h4-11,14-15,33H,3,12-13,16H2,1-2H3,(H,29,34)
InChIKeyDPFMSWIHNGFWRO-UHFFFAOYSA-N
XLogP3.62
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 53262092) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCO)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DPFMSWIHNGFWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-3-20-25-21(8-5-9-22(25)32(30-20)16-18-7-4-6-17(2)28-18)29-26(34)23-15-27-24-14-19(35-13-12-33)10-11-31(23)24/h4-11,14-15,33H,3,12-13,16H2,1-2H3,(H,29,34).
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53262092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).