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

C24H30ClN7O — CID 73294785

IUPAC2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C3CCN(C)CC3)c2)ncc1Cl
InChIInChI=1S/C24H30ClN7O/c1-16(23(26)33)20-6-4-3-5-17(20)7-8-22-21(25)14-27-24(30-22)29-18-13-28-32(15-18)19-9-11-31(2)12-10-19/h3-6,13-16,19H,7-12H2,1-2H3,(H2,26,33)(H,27,29,30)
InChIKeyFUTJVLYPEWQFEG-UHFFFAOYSA-N
MW468.01 g/mol
LogP3.71
Rot. Bonds8

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

2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 73294785) has the molecular formula C24H30ClN7O and a molecular weight of 468.01 g/mol. Its IUPAC name is 2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID73294785
Molecular FormulaC24H30ClN7O
Molecular Weight468.01 g/mol
Exact Mass467.22
IUPAC Name2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C3CCN(C)CC3)c2)ncc1Cl
InChIInChI=1S/C24H30ClN7O/c1-16(23(26)33)20-6-4-3-5-17(20)7-8-22-21(25)14-27-24(30-22)29-18-13-28-32(15-18)19-9-11-31(2)12-10-19/h3-6,13-16,19H,7-12H2,1-2H3,(H2,26,33)(H,27,29,30)
InChIKeyFUTJVLYPEWQFEG-UHFFFAOYSA-N
XLogP3.71
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.01
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of 2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 73294785) is 2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for 2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for 2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide is CC(C(N)=O)c1ccccc1CCc1nc(Nc2cnn(C3CCN(C)CC3)c2)ncc1Cl.
What is the InChIKey of 2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is FUTJVLYPEWQFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN7O/c1-16(23(26)33)20-6-4-3-5-17(20)7-8-22-21(25)14-27-24(30-22)29-18-13-28-32(15-18)19-9-11-31(2)12-10-19/h3-6,13-16,19H,7-12H2,1-2H3,(H2,26,33)(H,27,29,30).
What are the key properties of 2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide?
2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 468.01 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-chloro-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 73294785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).