2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide

C22H27N7O3 — CID 176646361

IUPAC2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cn2cc(C(=O)Nc3ccc(N4CCN[C@@H](C)C4)nn3)c(O[C@H]3CCOC3)cc2n1
InChIInChI=1S/C22H27N7O3/c1-14-10-28(7-6-23-14)20-4-3-19(26-27-20)25-22(30)17-12-29-11-15(2)24-21(29)9-18(17)32-16-5-8-31-13-16/h3-4,9,11-12,14,16,23H,5-8,10,13H2,1-2H3,(H,25,26,30)/t14-,16-/m0/s1
InChIKeyRDNBVYZYBOKYPY-HOCLYGCPSA-N
MW437.50 g/mol
LogP1.65
Rot. Bonds5

About 2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide

2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 176646361) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID176646361
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1cn2cc(C(=O)Nc3ccc(N4CCN[C@@H](C)C4)nn3)c(O[C@H]3CCOC3)cc2n1
InChIInChI=1S/C22H27N7O3/c1-14-10-28(7-6-23-14)20-4-3-19(26-27-20)25-22(30)17-12-29-11-15(2)24-21(29)9-18(17)32-16-5-8-31-13-16/h3-4,9,11-12,14,16,23H,5-8,10,13H2,1-2H3,(H,25,26,30)/t14-,16-/m0/s1
InChIKeyRDNBVYZYBOKYPY-HOCLYGCPSA-N
XLogP1.65
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide (CID 176646361) is 2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide is Cc1cn2cc(C(=O)Nc3ccc(N4CCN[C@@H](C)C4)nn3)c(O[C@H]3CCOC3)cc2n1.
What is the InChIKey of 2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is RDNBVYZYBOKYPY-HOCLYGCPSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-14-10-28(7-6-23-14)20-4-3-19(26-27-20)25-22(30)17-12-29-11-15(2)24-21(29)9-18(17)32-16-5-8-31-13-16/h3-4,9,11-12,14,16,23H,5-8,10,13H2,1-2H3,(H,25,26,30)/t14-,16-/m0/s1.
What are the key properties of 2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide?
2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-[(3S)-3-methylpiperazin-1-yl]pyridazin-3-yl]-7-[(3S)-oxolan-3-yl]oxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 176646361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).