N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

C22H19F3N8O2 — CID 90463625

IUPACN-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1ncc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C22H19F3N8O2/c1-13-16(17-10-20(32-4-6-35-7-5-32)33-19(30-17)2-3-28-33)9-15(12-26-13)29-21(34)14-8-18(22(23,24)25)31-27-11-14/h2-3,8-12H,4-7H2,1H3,(H,29,34)
InChIKeyDEBLQFYQFFNANE-UHFFFAOYSA-N
MW484.44 g/mol
LogP3.00
Rot. Bonds4

About N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide

N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 90463625) has the molecular formula C22H19F3N8O2 and a molecular weight of 484.44 g/mol. Its IUPAC name is N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID90463625
Molecular FormulaC22H19F3N8O2
Molecular Weight484.44 g/mol
Exact Mass484.16
IUPAC NameN-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1ncc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C22H19F3N8O2/c1-13-16(17-10-20(32-4-6-35-7-5-32)33-19(30-17)2-3-28-33)9-15(12-26-13)29-21(34)14-8-18(22(23,24)25)31-27-11-14/h2-3,8-12H,4-7H2,1H3,(H,29,34)
InChIKeyDEBLQFYQFFNANE-UHFFFAOYSA-N
XLogP3.00
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 90463625) is N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is Cc1ncc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n2nccc2n1.
What is the InChIKey of N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is DEBLQFYQFFNANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N8O2/c1-13-16(17-10-20(32-4-6-35-7-5-32)33-19(30-17)2-3-28-33)9-15(12-26-13)29-21(34)14-8-18(22(23,24)25)31-27-11-14/h2-3,8-12H,4-7H2,1H3,(H,29,34).
What are the key properties of N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide?
N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 484.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 90463625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).