(2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide

C27H27ClN8O2 — CID 129077363

IUPAC(2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide
SMILESCc1cccc([C@@H](C)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(Nc5ccnn5C)ncc4Cl)cc3C2=O)n1
InChIInChI=1S/C27H27ClN8O2/c1-15-6-5-7-22(31-15)16(2)32-25(37)17(3)36-14-19-9-8-18(12-20(19)26(36)38)24-21(28)13-29-27(34-24)33-23-10-11-30-35(23)4/h5-13,16-17H,14H2,1-4H3,(H,32,37)(H,29,33,34)/t16-,17-/m1/s1
InChIKeyLULDGLFEOONRQP-IAGOWNOFSA-N
MW531.02 g/mol
LogP4.20
Rot. Bonds7

About (2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide

(2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide (PubChem CID 129077363) has the molecular formula C27H27ClN8O2 and a molecular weight of 531.02 g/mol. Its IUPAC name is (2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide
PubChem CID129077363
Molecular FormulaC27H27ClN8O2
Molecular Weight531.02 g/mol
Exact Mass530.19
IUPAC Name(2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide
SMILESCc1cccc([C@@H](C)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(Nc5ccnn5C)ncc4Cl)cc3C2=O)n1
InChIInChI=1S/C27H27ClN8O2/c1-15-6-5-7-22(31-15)16(2)32-25(37)17(3)36-14-19-9-8-18(12-20(19)26(36)38)24-21(28)13-29-27(34-24)33-23-10-11-30-35(23)4/h5-13,16-17H,14H2,1-4H3,(H,32,37)(H,29,33,34)/t16-,17-/m1/s1
InChIKeyLULDGLFEOONRQP-IAGOWNOFSA-N
XLogP4.20
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.02
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide?
The IUPAC name of (2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide (CID 129077363) is (2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide is Cc1cccc([C@@H](C)NC(=O)[C@@H](C)N2Cc3ccc(-c4nc(Nc5ccnn5C)ncc4Cl)cc3C2=O)n1.
What is the InChIKey of (2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide?
The InChIKey is LULDGLFEOONRQP-IAGOWNOFSA-N. The full InChI is InChI=1S/C27H27ClN8O2/c1-15-6-5-7-22(31-15)16(2)32-25(37)17(3)36-14-19-9-8-18(12-20(19)26(36)38)24-21(28)13-29-27(34-24)33-23-10-11-30-35(23)4/h5-13,16-17H,14H2,1-4H3,(H,32,37)(H,29,33,34)/t16-,17-/m1/s1.
What are the key properties of (2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide?
(2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide has a molecular weight of 531.02 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-[5-chloro-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]-N-[(1R)-1-(6-methyl-2-pyridinyl)ethyl]propanamide is sourced from PubChem (CID 129077363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).