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

C27H25N7O2 — CID 137381982

IUPACN-propan-2-yl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)NC(=O)N1Cc2ccc(-c3nc(Nc4ccc(-c5cn[nH]c5)cc4)c4occc4n3)cc2C1
InChIInChI=1S/C27H25N7O2/c1-16(2)30-27(35)34-14-19-4-3-18(11-20(19)15-34)25-32-23-9-10-36-24(23)26(33-25)31-22-7-5-17(6-8-22)21-12-28-29-13-21/h3-13,16H,14-15H2,1-2H3,(H,28,29)(H,30,35)(H,31,32,33)
InChIKeyDFASRZDMYPFHML-UHFFFAOYSA-N
MW479.54 g/mol
LogP5.46
Rot. Bonds5

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

N-propan-2-yl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 137381982) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-propan-2-yl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID137381982
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC NameN-propan-2-yl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)NC(=O)N1Cc2ccc(-c3nc(Nc4ccc(-c5cn[nH]c5)cc4)c4occc4n3)cc2C1
InChIInChI=1S/C27H25N7O2/c1-16(2)30-27(35)34-14-19-4-3-18(11-20(19)15-34)25-32-23-9-10-36-24(23)26(33-25)31-22-7-5-17(6-8-22)21-12-28-29-13-21/h3-13,16H,14-15H2,1-2H3,(H,28,29)(H,30,35)(H,31,32,33)
InChIKeyDFASRZDMYPFHML-UHFFFAOYSA-N
XLogP5.46
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-propan-2-yl-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-propan-2-yl-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-propan-2-yl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide (CID 137381982) is N-propan-2-yl-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-propan-2-yl-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-propan-2-yl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide is CC(C)NC(=O)N1Cc2ccc(-c3nc(Nc4ccc(-c5cn[nH]c5)cc4)c4occc4n3)cc2C1.
What is the InChIKey of N-propan-2-yl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is DFASRZDMYPFHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-16(2)30-27(35)34-14-19-4-3-18(11-20(19)15-34)25-32-23-9-10-36-24(23)26(33-25)31-22-7-5-17(6-8-22)21-12-28-29-13-21/h3-13,16H,14-15H2,1-2H3,(H,28,29)(H,30,35)(H,31,32,33).
What are the key properties of N-propan-2-yl-5-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1,3-dihydroisoindole-2-carboxamide?
N-propan-2-yl-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 479.54 g/mol, XLogP of 5.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-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 137381982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).