1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide

C25H27F2N7O2 — CID 169077877

IUPAC1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cn(C(C)(C)C)nc2F)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C25H27F2N7O2/c1-15-11-18(26)20(29-24(35)17-14-34(25(2,3)4)31-22(17)27)12-16(15)19-13-21(32-7-9-36-10-8-32)23-28-5-6-33(23)30-19/h5-6,11-14H,7-10H2,1-4H3,(H,29,35)
InChIKeyPBEWWFOGWVDPLZ-UHFFFAOYSA-N
MW495.53 g/mol
LogP4.02
Rot. Bonds4

About 1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide

1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 169077877) has the molecular formula C25H27F2N7O2 and a molecular weight of 495.53 g/mol. Its IUPAC name is 1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide
PubChem CID169077877
Molecular FormulaC25H27F2N7O2
Molecular Weight495.53 g/mol
Exact Mass495.22
IUPAC Name1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide
SMILESCc1cc(F)c(NC(=O)c2cn(C(C)(C)C)nc2F)cc1-c1cc(N2CCOCC2)c2nccn2n1
InChIInChI=1S/C25H27F2N7O2/c1-15-11-18(26)20(29-24(35)17-14-34(25(2,3)4)31-22(17)27)12-16(15)19-13-21(32-7-9-36-10-8-32)23-28-5-6-33(23)30-19/h5-6,11-14H,7-10H2,1-4H3,(H,29,35)
InChIKeyPBEWWFOGWVDPLZ-UHFFFAOYSA-N
XLogP4.02
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-tert-butyl-5-fluoropyrazol-4-yl)-2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)benzamide
CID 169077816
1-tert-butyl-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]triazole-4-carboxamide
CID 169077945
1-tert-butyl-3-fluoro-N-[5-fluoro-4-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 169077818
1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]pyrazole-4-carboxamide
CID 169077763
2-tert-butyl-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]triazole-4-carboxamide
CID 169077793
5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide
CID 176698073
1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-yl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]pyrazole-4-carboxamide
CID 176698012
3-(difluoromethyl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]benzamide
CID 90462733
1-tert-butyl-5-fluoro-N-[2-fluoro-4-methyl-5-[8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]pyrazole-4-carboxamide
CID 169077749
N-[3-fluoro-1-(1-methylcyclopropyl)pyrazol-4-yl]-2,4-dimethyl-5-(2-methyl-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 170237490
2-(2-azabicyclo[2.1.1]hexan-2-yl)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyridine-4-carboxamide
CID 169077851
(3R)-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 169077628

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide (CID 169077877) is 1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide is Cc1cc(F)c(NC(=O)c2cn(C(C)(C)C)nc2F)cc1-c1cc(N2CCOCC2)c2nccn2n1.
What is the InChIKey of 1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is PBEWWFOGWVDPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N7O2/c1-15-11-18(26)20(29-24(35)17-14-34(25(2,3)4)31-22(17)27)12-16(15)19-13-21(32-7-9-36-10-8-32)23-28-5-6-33(23)30-19/h5-6,11-14H,7-10H2,1-4H3,(H,29,35).
What are the key properties of 1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide?
1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 495.53 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-fluoro-N-[2-fluoro-4-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 169077877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).