N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide

C23H23N9O2 — CID 164791993

IUPACN-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(n4ccnn4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C23H23N9O2/c1-34-20-12-19-15(11-18(20)23(33)27-22-13-24-21-3-2-8-26-32(21)22)14-31(28-19)17-6-4-16(5-7-17)30-10-9-25-29-30/h2-3,8-14,16-17H,4-7H2,1H3,(H,27,33)
InChIKeyRLGSHQGQDLENCX-UHFFFAOYSA-N
MW457.50 g/mol
LogP3.29
Rot. Bonds5

About N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide

N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide (PubChem CID 164791993) has the molecular formula C23H23N9O2 and a molecular weight of 457.50 g/mol. Its IUPAC name is N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide.

Molecular Properties

Compound NameN-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide
PubChem CID164791993
Molecular FormulaC23H23N9O2
Molecular Weight457.50 g/mol
Exact Mass457.20
IUPAC NameN-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC(n4ccnn4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C23H23N9O2/c1-34-20-12-19-15(11-18(20)23(33)27-22-13-24-21-3-2-8-26-32(21)22)14-31(28-19)17-6-4-16(5-7-17)30-10-9-25-29-30/h2-3,8-14,16-17H,4-7H2,1H3,(H,27,33)
InChIKeyRLGSHQGQDLENCX-UHFFFAOYSA-N
XLogP3.29
TPSA117.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide?
The IUPAC name of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide (CID 164791993) is N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide.
What is the SMILES notation for N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide?
The canonical SMILES for N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide is COc1cc2nn(C3CCC(n4ccnn4)CC3)cc2cc1C(=O)Nc1cnc2cccnn12.
What is the InChIKey of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide?
The InChIKey is RLGSHQGQDLENCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9O2/c1-34-20-12-19-15(11-18(20)23(33)27-22-13-24-21-3-2-8-26-32(21)22)14-31(28-19)17-6-4-16(5-7-17)30-10-9-25-29-30/h2-3,8-14,16-17H,4-7H2,1H3,(H,27,33).
What are the key properties of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide?
N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[4-(triazol-1-yl)cyclohexyl]indazole-5-carboxamide is sourced from PubChem (CID 164791993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).