7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one

C29H32F2N6O — CID 90092765

IUPAC7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCC(C)N1c2nc(-c3c[nH]c4ccc(-c5ccc(CN6CCC(F)(F)C6)cn5)cc34)cc(=O)n2CC1(C)C
InChIInChI=1S/C29H32F2N6O/c1-18(2)37-27-34-25(12-26(38)36(27)16-28(37,3)4)22-14-33-24-8-6-20(11-21(22)24)23-7-5-19(13-32-23)15-35-10-9-29(30,31)17-35/h5-8,11-14,18,33H,9-10,15-17H2,1-4H3
InChIKeyCPPKQVBELMBVLR-UHFFFAOYSA-N
MW518.61 g/mol
LogP5.30
Rot. Bonds5

About 7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one

7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 90092765) has the molecular formula C29H32F2N6O and a molecular weight of 518.61 g/mol. Its IUPAC name is 7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID90092765
Molecular FormulaC29H32F2N6O
Molecular Weight518.61 g/mol
Exact Mass518.26
IUPAC Name7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCC(C)N1c2nc(-c3c[nH]c4ccc(-c5ccc(CN6CCC(F)(F)C6)cn5)cc34)cc(=O)n2CC1(C)C
InChIInChI=1S/C29H32F2N6O/c1-18(2)37-27-34-25(12-26(38)36(27)16-28(37,3)4)22-14-33-24-8-6-20(11-21(22)24)23-7-5-19(13-32-23)15-35-10-9-29(30,31)17-35/h5-8,11-14,18,33H,9-10,15-17H2,1-4H3
InChIKeyCPPKQVBELMBVLR-UHFFFAOYSA-N
XLogP5.30
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.61
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one 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 7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one (CID 90092765) is 7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one is CC(C)N1c2nc(-c3c[nH]c4ccc(-c5ccc(CN6CCC(F)(F)C6)cn5)cc34)cc(=O)n2CC1(C)C.
What is the InChIKey of 7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is CPPKQVBELMBVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O/c1-18(2)37-27-34-25(12-26(38)36(27)16-28(37,3)4)22-14-33-24-8-6-20(11-21(22)24)23-7-5-19(13-32-23)15-35-10-9-29(30,31)17-35/h5-8,11-14,18,33H,9-10,15-17H2,1-4H3.
What are the key properties of 7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one?
7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 518.61 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-pyridinyl]-1H-indol-3-yl]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 90092765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).