[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone

C22H23FN10O — CID 155195779

IUPAC[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)c3ccc(-n4cc(F)cn4)nc3)CC2)n1
InChIInChI=1S/C22H23FN10O/c1-14-9-18(27-19-10-15(2)29-30-19)28-22(26-14)32-7-5-31(6-8-32)21(34)16-3-4-20(24-11-16)33-13-17(23)12-25-33/h3-4,9-13H,5-8H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyQXPSIKWWJZWWHB-UHFFFAOYSA-N
MW462.49 g/mol
LogP2.24
Rot. Bonds5

About [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone

[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 155195779) has the molecular formula C22H23FN10O and a molecular weight of 462.49 g/mol. Its IUPAC name is [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID155195779
Molecular FormulaC22H23FN10O
Molecular Weight462.49 g/mol
Exact Mass462.20
IUPAC Name[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)c3ccc(-n4cc(F)cn4)nc3)CC2)n1
InChIInChI=1S/C22H23FN10O/c1-14-9-18(27-19-10-15(2)29-30-19)28-22(26-14)32-7-5-31(6-8-32)21(34)16-3-4-20(24-11-16)33-13-17(23)12-25-33/h3-4,9-13H,5-8H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyQXPSIKWWJZWWHB-UHFFFAOYSA-N
XLogP2.24
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone (CID 155195779) is [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCN(C(=O)c3ccc(-n4cc(F)cn4)nc3)CC2)n1.
What is the InChIKey of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is QXPSIKWWJZWWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN10O/c1-14-9-18(27-19-10-15(2)29-30-19)28-22(26-14)32-7-5-31(6-8-32)21(34)16-3-4-20(24-11-16)33-13-17(23)12-25-33/h3-4,9-13H,5-8H2,1-2H3,(H2,26,27,28,29,30).
What are the key properties of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone?
[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 462.49 g/mol, XLogP of 2.24, 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]-[4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 155195779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).