[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone

C24H25FN10O — CID 155195773

IUPAC[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2C3CCC2CN(C(=O)c2ccc(-n4cc(F)cn4)nn2)C3)c1
InChIInChI=1S/C24H25FN10O/c1-14-7-20(27-21-9-15(2)29-31-21)28-23(8-14)35-17-3-4-18(35)13-33(12-17)24(36)19-5-6-22(32-30-19)34-11-16(25)10-26-34/h5-11,17-18H,3-4,12-13H2,1-2H3,(H2,27,28,29,31)
InChIKeyOBWIGYYOZSWZCZ-UHFFFAOYSA-N
MW488.53 g/mol
LogP2.77
Rot. Bonds5

About [6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone

[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone (PubChem CID 155195773) has the molecular formula C24H25FN10O and a molecular weight of 488.53 g/mol. Its IUPAC name is [6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone.

Molecular Properties

Compound Name[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
PubChem CID155195773
Molecular FormulaC24H25FN10O
Molecular Weight488.53 g/mol
Exact Mass488.22
IUPAC Name[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2C3CCC2CN(C(=O)c2ccc(-n4cc(F)cn4)nn2)C3)c1
InChIInChI=1S/C24H25FN10O/c1-14-7-20(27-21-9-15(2)29-31-21)28-23(8-14)35-17-3-4-18(35)13-33(12-17)24(36)19-5-6-22(32-30-19)34-11-16(25)10-26-34/h5-11,17-18H,3-4,12-13H2,1-2H3,(H2,27,28,29,31)
InChIKeyOBWIGYYOZSWZCZ-UHFFFAOYSA-N
XLogP2.77
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The IUPAC name of [6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone (CID 155195773) is [6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone.
What is the SMILES notation for [6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The canonical SMILES for [6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone is Cc1cc(Nc2cc(C)[nH]n2)nc(N2C3CCC2CN(C(=O)c2ccc(-n4cc(F)cn4)nn2)C3)c1.
What is the InChIKey of [6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The InChIKey is OBWIGYYOZSWZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN10O/c1-14-7-20(27-21-9-15(2)29-31-21)28-23(8-14)35-17-3-4-18(35)13-33(12-17)24(36)19-5-6-22(32-30-19)34-11-16(25)10-26-34/h5-11,17-18H,3-4,12-13H2,1-2H3,(H2,27,28,29,31).
What are the key properties of [6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
[6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone has a molecular weight of 488.53 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluoropyrazol-1-yl)pyridazin-3-yl]-[8-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone is sourced from PubChem (CID 155195773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).