N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide

C32H34N6O3 — CID 67259828

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(/C=C/COC5CCCCO5)ccn34)c12
InChIInChI=1S/C32H34N6O3/c1-3-25-31-26(12-7-13-27(31)38(36-25)21-24-11-6-9-22(2)34-24)35-32(39)28-20-33-29-19-23(15-16-37(28)29)10-8-18-41-30-14-4-5-17-40-30/h6-13,15-16,19-20,30H,3-5,14,17-18,21H2,1-2H3,(H,35,39)/b10-8+
InChIKeyWODMYFVNIYAJNP-CSKARUKUSA-N
MW550.66 g/mol
LogP5.81
Rot. Bonds9

About N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259828) has the molecular formula C32H34N6O3 and a molecular weight of 550.66 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259828
Molecular FormulaC32H34N6O3
Molecular Weight550.66 g/mol
Exact Mass550.27
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(/C=C/COC5CCCCO5)ccn34)c12
InChIInChI=1S/C32H34N6O3/c1-3-25-31-26(12-7-13-27(31)38(36-25)21-24-11-6-9-22(2)34-24)35-32(39)28-20-33-29-19-23(15-16-37(28)29)10-8-18-41-30-14-4-5-17-40-30/h6-13,15-16,19-20,30H,3-5,14,17-18,21H2,1-2H3,(H,35,39)/b10-8+
InChIKeyWODMYFVNIYAJNP-CSKARUKUSA-N
XLogP5.81
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 55.81
H-Bond Donors ≤ 51
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-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67259828) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]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-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(/C=C/COC5CCCCO5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WODMYFVNIYAJNP-CSKARUKUSA-N. The full InChI is InChI=1S/C32H34N6O3/c1-3-25-31-26(12-7-13-27(31)38(36-25)21-24-11-6-9-22(2)34-24)35-32(39)28-20-33-29-19-23(15-16-37(28)29)10-8-18-41-30-14-4-5-17-40-30/h6-13,15-16,19-20,30H,3-5,14,17-18,21H2,1-2H3,(H,35,39)/b10-8+.
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 550.66 g/mol, XLogP of 5.81, 9 rotatable bonds, 1 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-[(E)-3-(oxan-2-yloxy)prop-1-enyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).