N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide

C21H25N7O3 — CID 170394584

IUPACN-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide
SMILESO=C(NC1CCC(Oc2nc(N3CCOCC3)cc3nccn23)CC1)c1ccnnc1
InChIInChI=1S/C21H25N7O3/c29-20(15-5-6-23-24-14-15)25-16-1-3-17(4-2-16)31-21-26-19(27-9-11-30-12-10-27)13-18-22-7-8-28(18)21/h5-8,13-14,16-17H,1-4,9-12H2,(H,25,29)
InChIKeyMNFDCNGQFTXHRA-UHFFFAOYSA-N
MW423.48 g/mol
LogP1.48
Rot. Bonds5

About N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide

N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide (PubChem CID 170394584) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide
PubChem CID170394584
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC NameN-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide
SMILESO=C(NC1CCC(Oc2nc(N3CCOCC3)cc3nccn23)CC1)c1ccnnc1
InChIInChI=1S/C21H25N7O3/c29-20(15-5-6-23-24-14-15)25-16-1-3-17(4-2-16)31-21-26-19(27-9-11-30-12-10-27)13-18-22-7-8-28(18)21/h5-8,13-14,16-17H,1-4,9-12H2,(H,25,29)
InChIKeyMNFDCNGQFTXHRA-UHFFFAOYSA-N
XLogP1.48
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[(3S,3aR,7aR)-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyridazine-4-carboxamide
CID 97460029
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 170083212
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-2-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 170083262
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyrimidine-5-carboxamide
CID 170394583
N-(4-((7-morpholinoimidazo[1,2-c]pyrimidin-5-yl)oxy)cyclohexyl)pyridazine-3-carboxamide
CID 170394588
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-2-[(3R)-3-methylmorpholin-4-yl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 169120540
2,4-dimethyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330046
4-methyl-2-(methylamino)-N-[(1r,4r)-4-butoxycyclohexyl]pyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 121330140
N-(4-butoxycyclohexyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 132000379
3-amino-6-imidazol-1-yl-N-(4-methoxycyclohexyl)pyridazine-4-carboxamide
CID 172079959
(6S)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97385146
(6R)-N-methyl-1'-(pyridazine-4-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide
CID 97385147

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide?
The IUPAC name of N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide (CID 170394584) is N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide is O=C(NC1CCC(Oc2nc(N3CCOCC3)cc3nccn23)CC1)c1ccnnc1.
What is the InChIKey of N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide?
The InChIKey is MNFDCNGQFTXHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c29-20(15-5-6-23-24-14-15)25-16-1-3-17(4-2-16)31-21-26-19(27-9-11-30-12-10-27)13-18-22-7-8-28(18)21/h5-8,13-14,16-17H,1-4,9-12H2,(H,25,29).
What are the key properties of N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide?
N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-morpholin-4-ylimidazo[1,2-c]pyrimidin-5-yl)oxycyclohexyl]pyridazine-4-carboxamide is sourced from PubChem (CID 170394584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).