[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone

C24H27ClFN7O2 — CID 44611773

IUPAC[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone
SMILESCc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)C5(O)CC5)CC4)cc3F)ncc2Cl)n[nH]1
InChIInChI=1S/C24H27ClFN7O2/c1-13-9-19(28-23-27-12-17(25)21(30-23)29-20-10-14(2)31-32-20)18(26)11-16(13)15-3-7-33(8-4-15)22(34)24(35)5-6-24/h9-12,15,35H,3-8H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyRODIPHYGCJLMDN-UHFFFAOYSA-N
MW499.98 g/mol
LogP4.33
Rot. Bonds6

About [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone

[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone (PubChem CID 44611773) has the molecular formula C24H27ClFN7O2 and a molecular weight of 499.98 g/mol. Its IUPAC name is [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone.

Molecular Properties

Compound Name[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone
PubChem CID44611773
Molecular FormulaC24H27ClFN7O2
Molecular Weight499.98 g/mol
Exact Mass499.19
IUPAC Name[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone
SMILESCc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)C5(O)CC5)CC4)cc3F)ncc2Cl)n[nH]1
InChIInChI=1S/C24H27ClFN7O2/c1-13-9-19(28-23-27-12-17(25)21(30-23)29-20-10-14(2)31-32-20)18(26)11-16(13)15-3-7-33(8-4-15)22(34)24(35)5-6-24/h9-12,15,35H,3-8H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyRODIPHYGCJLMDN-UHFFFAOYSA-N
XLogP4.33
TPSA119.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone?
The IUPAC name of [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone (CID 44611773) is [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone.
What is the SMILES notation for [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone?
The canonical SMILES for [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone is Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(C(=O)C5(O)CC5)CC4)cc3F)ncc2Cl)n[nH]1.
What is the InChIKey of [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone?
The InChIKey is RODIPHYGCJLMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN7O2/c1-13-9-19(28-23-27-12-17(25)21(30-23)29-20-10-14(2)31-32-20)18(26)11-16(13)15-3-7-33(8-4-15)22(34)24(35)5-6-24/h9-12,15,35H,3-8H2,1-2H3,(H3,27,28,29,30,31,32).
What are the key properties of [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone?
[4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone has a molecular weight of 499.98 g/mol, XLogP of 4.33, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]piperidin-1-yl]-(1-hydroxycyclopropyl)methanone is sourced from PubChem (CID 44611773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).