2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide

C22H25N5O3 — CID 126935921

IUPAC2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NC1CCC(n2nc3c(cc2=O)COCC3)CC1
InChIInChI=1S/C22H25N5O3/c1-14-21(26-10-3-2-4-19(26)23-14)22(29)24-16-5-7-17(8-6-16)27-20(28)12-15-13-30-11-9-18(15)25-27/h2-4,10,12,16-17H,5-9,11,13H2,1H3,(H,24,29)
InChIKeyBPTSHLPWZIAAIL-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.19
Rot. Bonds3

About 2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide

2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126935921) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126935921
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NC1CCC(n2nc3c(cc2=O)COCC3)CC1
InChIInChI=1S/C22H25N5O3/c1-14-21(26-10-3-2-4-19(26)23-14)22(29)24-16-5-7-17(8-6-16)27-20(28)12-15-13-30-11-9-18(15)25-27/h2-4,10,12,16-17H,5-9,11,13H2,1H3,(H,24,29)
InChIKeyBPTSHLPWZIAAIL-UHFFFAOYSA-N
XLogP2.19
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 126935921) is 2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NC1CCC(n2nc3c(cc2=O)COCC3)CC1.
What is the InChIKey of 2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BPTSHLPWZIAAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-21(26-10-3-2-4-19(26)23-14)22(29)24-16-5-7-17(8-6-16)27-20(28)12-15-13-30-11-9-18(15)25-27/h2-4,10,12,16-17H,5-9,11,13H2,1H3,(H,24,29).
What are the key properties of 2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126935921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).