N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

C31H31N9O — CID 67260115

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnc6n5CCN(C)C6)ccn34)c12
InChIInChI=1S/C31H31N9O/c1-4-23-30-24(9-6-10-25(30)40(36-23)18-22-8-5-7-20(2)34-22)35-31(41)27-17-32-28-15-21(11-12-38(27)28)26-16-33-29-19-37(3)13-14-39(26)29/h5-12,15-17H,4,13-14,18-19H2,1-3H3,(H,35,41)
InChIKeyNZFBIERVOBGSPS-UHFFFAOYSA-N
MW545.65 g/mol
LogP4.56
Rot. Bonds6

About N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67260115) has the molecular formula C31H31N9O and a molecular weight of 545.65 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67260115
Molecular FormulaC31H31N9O
Molecular Weight545.65 g/mol
Exact Mass545.27
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnc6n5CCN(C)C6)ccn34)c12
InChIInChI=1S/C31H31N9O/c1-4-23-30-24(9-6-10-25(30)40(36-23)18-22-8-5-7-20(2)34-22)35-31(41)27-17-32-28-15-21(11-12-38(27)28)26-16-33-29-19-37(3)13-14-39(26)29/h5-12,15-17H,4,13-14,18-19H2,1-3H3,(H,35,41)
InChIKeyNZFBIERVOBGSPS-UHFFFAOYSA-N
XLogP4.56
TPSA98.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.65
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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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-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 67260115) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)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-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5cnc6n5CCN(C)C6)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NZFBIERVOBGSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N9O/c1-4-23-30-24(9-6-10-25(30)40(36-23)18-22-8-5-7-20(2)34-22)35-31(41)27-17-32-28-15-21(11-12-38(27)28)26-16-33-29-19-37(3)13-14-39(26)29/h5-12,15-17H,4,13-14,18-19H2,1-3H3,(H,35,41).
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 545.65 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 9 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-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67260115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).