N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide

C26H23N7O2 — CID 137387828

IUPACN,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide
SMILESCN(C)C(=O)N1Cc2ccc(-c3nc(Nc4ccc(-c5cn[nH]c5)cc4)c4occc4n3)cc2C1
InChIInChI=1S/C26H23N7O2/c1-32(2)26(34)33-14-18-4-3-17(11-19(18)15-33)24-30-22-9-10-35-23(22)25(31-24)29-21-7-5-16(6-8-21)20-12-27-28-13-20/h3-13H,14-15H2,1-2H3,(H,27,28)(H,29,30,31)
InChIKeyQUJFNTBYCDSIDC-UHFFFAOYSA-N
MW465.52 g/mol
LogP5.02
Rot. Bonds4

About N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide

N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 137387828) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID137387828
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC NameN,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide
SMILESCN(C)C(=O)N1Cc2ccc(-c3nc(Nc4ccc(-c5cn[nH]c5)cc4)c4occc4n3)cc2C1
InChIInChI=1S/C26H23N7O2/c1-32(2)26(34)33-14-18-4-3-17(11-19(18)15-33)24-30-22-9-10-35-23(22)25(31-24)29-21-7-5-16(6-8-21)20-12-27-28-13-20/h3-13H,14-15H2,1-2H3,(H,27,28)(H,29,30,31)
InChIKeyQUJFNTBYCDSIDC-UHFFFAOYSA-N
XLogP5.02
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.52
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide 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,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide (CID 137387828) is N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide is CN(C)C(=O)N1Cc2ccc(-c3nc(Nc4ccc(-c5cn[nH]c5)cc4)c4occc4n3)cc2C1.
What is the InChIKey of N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is QUJFNTBYCDSIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-32(2)26(34)33-14-18-4-3-17(11-19(18)15-33)24-30-22-9-10-35-23(22)25(31-24)29-21-7-5-16(6-8-21)20-12-27-28-13-20/h3-13H,14-15H2,1-2H3,(H,27,28)(H,29,30,31).
What are the key properties of N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide?
N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 465.52 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 137387828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).