N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide

C25H27N7O — CID 155308859

IUPACN-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(-c2c(-c3cnn(C4CCCC4)c3)c3c(N)ncnc3n2C)cc1
InChIInChI=1S/C25H27N7O/c1-15(2)25(33)30-18-10-8-16(9-11-18)22-20(21-23(26)27-14-28-24(21)31(22)3)17-12-29-32(13-17)19-6-4-5-7-19/h8-14,19H,1,4-7H2,2-3H3,(H,30,33)(H2,26,27,28)
InChIKeyXWBGCTDOPRISSO-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.71
Rot. Bonds5

About N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide

N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide (PubChem CID 155308859) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
PubChem CID155308859
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC NameN-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(-c2c(-c3cnn(C4CCCC4)c3)c3c(N)ncnc3n2C)cc1
InChIInChI=1S/C25H27N7O/c1-15(2)25(33)30-18-10-8-16(9-11-18)22-20(21-23(26)27-14-28-24(21)31(22)3)17-12-29-32(13-17)19-6-4-5-7-19/h8-14,19H,1,4-7H2,2-3H3,(H,30,33)(H2,26,27,28)
InChIKeyXWBGCTDOPRISSO-UHFFFAOYSA-N
XLogP4.71
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide (CID 155308859) is N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(-c2c(-c3cnn(C4CCCC4)c3)c3c(N)ncnc3n2C)cc1.
What is the InChIKey of N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide?
The InChIKey is XWBGCTDOPRISSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-15(2)25(33)30-18-10-8-16(9-11-18)22-20(21-23(26)27-14-28-24(21)31(22)3)17-12-29-32(13-17)19-6-4-5-7-19/h8-14,19H,1,4-7H2,2-3H3,(H,30,33)(H2,26,27,28).
What are the key properties of N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide?
N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide has a molecular weight of 441.54 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-5-(1-cyclopentylpyrazol-4-yl)-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 155308859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).