[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone

C24H25FN10O — CID 155205088

IUPAC[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)c3ccc(-n4cc(F)cn4)nc3)C3(CC3)C2)n1
InChIInChI=1S/C24H25FN10O/c1-15-9-19(29-20-10-16(2)31-32-20)30-23(28-15)33-7-8-34(24(14-33)5-6-24)22(36)17-3-4-21(26-11-17)35-13-18(25)12-27-35/h3-4,9-13H,5-8,14H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyCSSQYXSETPQWAY-UHFFFAOYSA-N
MW488.53 g/mol
LogP2.77
Rot. Bonds5

About [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone

[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone (PubChem CID 155205088) has the molecular formula C24H25FN10O and a molecular weight of 488.53 g/mol. Its IUPAC name is [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone.

Molecular Properties

Compound Name[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone
PubChem CID155205088
Molecular FormulaC24H25FN10O
Molecular Weight488.53 g/mol
Exact Mass488.22
IUPAC Name[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)c3ccc(-n4cc(F)cn4)nc3)C3(CC3)C2)n1
InChIInChI=1S/C24H25FN10O/c1-15-9-19(29-20-10-16(2)31-32-20)30-23(28-15)33-7-8-34(24(14-33)5-6-24)22(36)17-3-4-21(26-11-17)35-13-18(25)12-27-35/h3-4,9-13H,5-8,14H2,1-2H3,(H2,28,29,30,31,32)
InChIKeyCSSQYXSETPQWAY-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

Analyze [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone?
The IUPAC name of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone (CID 155205088) is [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone.
What is the SMILES notation for [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone?
The canonical SMILES for [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)c3ccc(-n4cc(F)cn4)nc3)C3(CC3)C2)n1.
What is the InChIKey of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone?
The InChIKey is CSSQYXSETPQWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN10O/c1-15-9-19(29-20-10-16(2)31-32-20)30-23(28-15)33-7-8-34(24(14-33)5-6-24)22(36)17-3-4-21(26-11-17)35-13-18(25)12-27-35/h3-4,9-13H,5-8,14H2,1-2H3,(H2,28,29,30,31,32).
What are the key properties of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone?
[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-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)-3-pyridinyl]-[7-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,7-diazaspiro[2.5]octan-4-yl]methanone is sourced from PubChem (CID 155205088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).