(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

C26H23F2N5O3 — CID 25055324

IUPAC(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NCc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2nccn12
InChIInChI=1S/C26H23F2N5O3/c1-14-17-5-7-22(19(17)4-3-18(14)25(35)36)30-13-16-11-23(32-26-29-8-9-33(16)26)24(34)31-12-15-2-6-20(27)21(28)10-15/h2-4,6,8-11,22,30H,5,7,12-13H2,1H3,(H,31,34)(H,35,36)/t22-/m0/s1
InChIKeyJVRGWRYQCJKQNZ-QFIPXVFZSA-N
MW491.50 g/mol
LogP3.72
Rot. Bonds7

About (1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid

(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 25055324) has the molecular formula C26H23F2N5O3 and a molecular weight of 491.50 g/mol. Its IUPAC name is (1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID25055324
Molecular FormulaC26H23F2N5O3
Molecular Weight491.50 g/mol
Exact Mass491.18
IUPAC Name(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NCc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2nccn12
InChIInChI=1S/C26H23F2N5O3/c1-14-17-5-7-22(19(17)4-3-18(14)25(35)36)30-13-16-11-23(32-26-29-8-9-33(16)26)24(34)31-12-15-2-6-20(27)21(28)10-15/h2-4,6,8-11,22,30H,5,7,12-13H2,1H3,(H,31,34)(H,35,36)/t22-/m0/s1
InChIKeyJVRGWRYQCJKQNZ-QFIPXVFZSA-N
XLogP3.72
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid 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 (1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid (CID 25055324) is (1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1c(C(=O)O)ccc2c1CC[C@@H]2NCc1cc(C(=O)NCc2ccc(F)c(F)c2)nc2nccn12.
What is the InChIKey of (1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is JVRGWRYQCJKQNZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H23F2N5O3/c1-14-17-5-7-22(19(17)4-3-18(14)25(35)36)30-13-16-11-23(32-26-29-8-9-33(16)26)24(34)31-12-15-2-6-20(27)21(28)10-15/h2-4,6,8-11,22,30H,5,7,12-13H2,1H3,(H,31,34)(H,35,36)/t22-/m0/s1.
What are the key properties of (1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid?
(1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 491.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[[7-[(3,4-difluorophenyl)methylcarbamoyl]imidazo[1,2-a]pyrimidin-5-yl]methylamino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 25055324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).