2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

C24H25F2N7O3 — CID 59569403

IUPAC2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCOc1cc2c(cc1OC(F)F)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2
InChIInChI=1S/C24H25F2N7O3/c1-35-20-10-15-13-33(14-16(15)11-21(20)36-23(25)26)24-29-5-2-17(31-24)22(34)30-18-12-28-4-3-19(18)32-8-6-27-7-9-32/h2-5,10-12,23,27H,6-9,13-14H2,1H3,(H,30,34)
InChIKeyTUGHWRFXKAIQBN-UHFFFAOYSA-N
MW497.51 g/mol
LogP2.66
Rot. Bonds7

About 2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 59569403) has the molecular formula C24H25F2N7O3 and a molecular weight of 497.51 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID59569403
Molecular FormulaC24H25F2N7O3
Molecular Weight497.51 g/mol
Exact Mass497.20
IUPAC Name2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCOc1cc2c(cc1OC(F)F)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2
InChIInChI=1S/C24H25F2N7O3/c1-35-20-10-15-13-33(14-16(15)11-21(20)36-23(25)26)24-29-5-2-17(31-24)22(34)30-18-12-28-4-3-19(18)32-8-6-27-7-9-32/h2-5,10-12,23,27H,6-9,13-14H2,1H3,(H,30,34)
InChIKeyTUGHWRFXKAIQBN-UHFFFAOYSA-N
XLogP2.66
TPSA104.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-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 2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (CID 59569403) is 2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is COc1cc2c(cc1OC(F)F)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.
What is the InChIKey of 2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is TUGHWRFXKAIQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N7O3/c1-35-20-10-15-13-33(14-16(15)11-21(20)36-23(25)26)24-29-5-2-17(31-24)22(34)30-18-12-28-4-3-19(18)32-8-6-27-7-9-32/h2-5,10-12,23,27H,6-9,13-14H2,1H3,(H,30,34).
What are the key properties of 2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 497.51 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59569403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).