2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide

C23H28ClN7O — CID 73294784

IUPAC2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C3CCNCC3)c2)ncc1Cl
InChIInChI=1S/C23H28ClN7O/c1-15(22(25)32)19-5-3-2-4-16(19)6-7-21-20(24)13-27-23(30-21)29-17-12-28-31(14-17)18-8-10-26-11-9-18/h2-5,12-15,18,26H,6-11H2,1H3,(H2,25,32)(H,27,29,30)
InChIKeyFYMHFFRHIPSDGQ-UHFFFAOYSA-N
MW453.98 g/mol
LogP3.37
Rot. Bonds8

About 2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide

2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 73294784) has the molecular formula C23H28ClN7O and a molecular weight of 453.98 g/mol. Its IUPAC name is 2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID73294784
Molecular FormulaC23H28ClN7O
Molecular Weight453.98 g/mol
Exact Mass453.20
IUPAC Name2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C3CCNCC3)c2)ncc1Cl
InChIInChI=1S/C23H28ClN7O/c1-15(22(25)32)19-5-3-2-4-16(19)6-7-21-20(24)13-27-23(30-21)29-17-12-28-31(14-17)18-8-10-26-11-9-18/h2-5,12-15,18,26H,6-11H2,1H3,(H2,25,32)(H,27,29,30)
InChIKeyFYMHFFRHIPSDGQ-UHFFFAOYSA-N
XLogP3.37
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.98
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of 2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 73294784) is 2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for 2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for 2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide is CC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C3CCNCC3)c2)ncc1Cl.
What is the InChIKey of 2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is FYMHFFRHIPSDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN7O/c1-15(22(25)32)19-5-3-2-4-16(19)6-7-21-20(24)13-27-23(30-21)29-17-12-28-31(14-17)18-8-10-26-11-9-18/h2-5,12-15,18,26H,6-11H2,1H3,(H2,25,32)(H,27,29,30).
What are the key properties of 2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 453.98 g/mol, XLogP of 3.37, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-chloro-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 73294784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).