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

C23H25FN10O — CID 155205094

IUPAC[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[(2S)-2-methyl-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)[C@@H](C)C2)n1
InChIInChI=1S/C23H25FN10O/c1-14-8-19(28-20-9-15(2)30-31-20)29-23(27-14)32-6-7-33(16(3)12-32)22(35)17-4-5-21(25-10-17)34-13-18(24)11-26-34/h4-5,8-11,13,16H,6-7,12H2,1-3H3,(H2,27,28,29,30,31)/t16-/m0/s1
InChIKeyQCHOFSGKMWUAPT-INIZCTEOSA-N
MW476.52 g/mol
LogP2.63
Rot. Bonds5

About [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[(2S)-2-methyl-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]-[(2S)-2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 155205094) has the molecular formula C23H25FN10O and a molecular weight of 476.52 g/mol. Its IUPAC name is [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[(2S)-2-methyl-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]-[(2S)-2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID155205094
Molecular FormulaC23H25FN10O
Molecular Weight476.52 g/mol
Exact Mass476.22
IUPAC Name[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[(2S)-2-methyl-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)[C@@H](C)C2)n1
InChIInChI=1S/C23H25FN10O/c1-14-8-19(28-20-9-15(2)30-31-20)29-23(27-14)32-6-7-33(16(3)12-32)22(35)17-4-5-21(25-10-17)34-13-18(24)11-26-34/h4-5,8-11,13,16H,6-7,12H2,1-3H3,(H2,27,28,29,30,31)/t16-/m0/s1
InChIKeyQCHOFSGKMWUAPT-INIZCTEOSA-N
XLogP2.63
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[(2S)-2-methyl-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]-[(2S)-2-methyl-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]-[(2S)-2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone (CID 155205094) is [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[(2S)-2-methyl-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]-[(2S)-2-methyl-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]-[(2S)-2-methyl-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)[C@@H](C)C2)n1.
What is the InChIKey of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[(2S)-2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is QCHOFSGKMWUAPT-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25FN10O/c1-14-8-19(28-20-9-15(2)30-31-20)29-23(27-14)32-6-7-33(16(3)12-32)22(35)17-4-5-21(25-10-17)34-13-18(24)11-26-34/h4-5,8-11,13,16H,6-7,12H2,1-3H3,(H2,27,28,29,30,31)/t16-/m0/s1.
What are the key properties of [6-(4-fluoropyrazol-1-yl)-3-pyridinyl]-[(2S)-2-methyl-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]-[(2S)-2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 476.52 g/mol, XLogP of 2.63, 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]-[(2S)-2-methyl-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 155205094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).